LigandBoxID:D00276

NAME:Clarithromycin;CAM;Biaxin
SMILES: CCC3OC(C(C(C(C(C(CC(C(C(C(C3(O)C)O)C)=O)C)(OC)C)OC2OC(CC(C2O)N(C)C)C)C)OC1OC(C(C(C1)(OC)C)O)C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00276

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C38H70NO13 748.972 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
13 18 -3.7487 -11.6964
LOGS LOGP    
-4.4374 1.2988    

Links to the same SMILES compounds

LIGANDBOX C06912 D07710 HTS1610-00170939 HTS1610-00170940 HTS1610-00337941
HTS1610-00337942 KSH2016-00021416 KSH2016-01919855 PDB_CTY
CHEMBL CHEMBL1394605 CHEMBL143 CHEMBL1671904 CHEMBL1741
ZINC ZINC49627537 ZINC49627542 ZINC67665003 ZINC67665006
PUBCHEM 10123899 10147055 10147281 10147566 10328821
10328822 11686485 11814635 11828745 11969952 12148640
13048687 13048688 16214941 16757843 17753750 178265
20704437 20704438 20849267 22489167 22610575 22610576
22726641 22726642 22726663 22969653 23281848 23305082
24769097 24847953 24879875 25207761 3000527 3000528
3000539 3000544 3000545 3001324 3001439 3001677
3002108 3009502 3009511 3009519 3009520 3009521
3009527 3009906 44152000 44237414 44299270 44324798
44518312 44518313 44518455 44519116 44519286 44519287
44519288 44629879 45038691 456392 456420 456495
456497 456594 456635 456859 462066 465023
4663848 467828 468943 468946 475775 476048
476049 477679 478216 478935 481714 482880
482891 482895 482900 483951 487691 487696
492118 5284534 5311050 53384925 54598304 54688
54692923 57524944 57587183 57642074 57893304 58385823
58593560 58648988 58668038 58668054 58668063 58750027
58839437 59008455 59022393 59022398 59022399 59022401
59022403 59022404 59022406 59077420 59077422 59109206
59253421 59253431 59253447 59451329 59451330 59848208
59890241 59890242 59909381 60086517 60111849 6426662
6475770 6477179 6477180 6481222 84029 9574756
9810688 9811193 9811194 9812135 9833311 9833326
9854925 9875605 9919144 9919722 9940572 9942092
9963741 9963850


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