LigandBoxID:D03742

NAME:Dextromethorphan
SMILES: COc1ccc4CC2N(CCC3(c4c1)CCCCC32)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03742

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H26NO 272.412 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 4 -3.6724 -11.9926
LOGS LOGP    
-3.5881 4.5224    

Links to the same SMILES compounds

LIGANDBOX C06947 D00848
CHEMBL CHEMBL1201004 CHEMBL1204111 CHEMBL1256818 CHEMBL1515948 CHEMBL1873845
CHEMBL1908323 CHEMBL22207 CHEMBL282713 CHEMBL52440
ZINC ZINC00001614 ZINC00003649 ZINC00402848 ZINC03201907
PUBCHEM 10251414 10482453 10524 11334807 11643341
11667129 11672152 11705476 11821824 11859118 11957506
120631 120632 12116689 12305042 15966929 15968052
15976917 15977894 15978237 15978238 16057309 16126825
16663253 16757664 18389042 18477768 20831728 20831833
21456398 21456605 21457903 22833774 23328373 23351235
23351244 23351251 23351261 23351604 23351820 23351824
23375970 23376871 23642201 24739561 24739562 24739563
24739564 24739728 24739729 24739730 24739731 24739732
24740070 24740071 24740072 24778481 24782988 24840155
24847986 24848044 24848045 24848691 24941377 24944270
24944271 24944272 24944273 24944274 24944275 24944276
24944277 24944278 24944279 24944280 24944281 25052519
25150797 25150836 25150839 25157680 25157681 25157990
25157993 25158554 25158816 3008 3055207 3055208
31329 40459111 42605973 43833354 44134436 44134437
44134439 44134442 44134443 44134444 44195278 44302054
44537559 45114079 45114204 45369918 46220350 46220351
46220459 50990971 51371146 5149819 517291 52914442
53389332 53389333 53389338 53389359 53389365 53389366
53389367 53389386 53389387 53389388 53389389 53389390
53389391 53389411 53389412 53389413 53389414 53389415
53389430 53389431 53389432 53389433 53389434 53389446
53389447 53389448 53389449 53389450 53389451 53389452
53389453 53389462 53389463 53389464 53389465 53389466
53389467 53389468 53389469 53389470 53389471 53389472
53389482 53389483 53389485 53389486 53389487 53389488
53389489 53389490 53389491 53389492 53389493 53389494
53389498 53389499 53389500 53389501 53389502 53389503
53389504 53389505 53389506 53389507 53389509 53389510
53389511 53389512 53389520 53389521 53389522 53389523
53389524 53389525 53389538 53389539 53389540 53389541
5359423 5360696 5362449 5462351 5464025 5483943
5486607 5702039 5702040 5746250 57513591 57515976
58402943 58402945 58402947 58402949 58402955 58402961
58402962 58402965 58402972 58402974 58402975 58402976
58402979 58402982 58402983 58402984 58402986 59436710
61066 64649 64650 64651 6602255 6916184
6916251 6916260 6916323 87726 9806105 9807047
9808047 9809150 9824643 9848967 9849064 9892761
9958428


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