LigandBoxID:D06623

NAME:Olanzapine pamoate;Olanzapine pamoate monohydrate
SMILES: OC(c1cc2ccccc2c(c1O)Cc4c(c(cc3ccccc43)C(=O)O)O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D06623

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H14O6 386.359 -2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 4.4379 -2.5576
LOGS LOGP    
-10.8622 4.4348    

Links to the same SMILES compounds

LIGANDBOX C07389 C11724 D00486 D00806 D01096
D02387 D03859 D05361 D08071 HTS1610-00139852 HTS1610-00139853
HTS1610-00576345 HTS1610-00949522 HTS1610-00957804
CHEMBL CHEMBL1200467 CHEMBL1200631 CHEMBL1201741 CHEMBL1517986 CHEMBL1599768
CHEMBL1673147 CHEMBL170358 CHEMBL177880 CHEMBL588912
ZINC ZINC00538152
PUBCHEM 10145809 10147370 10179807 10327596 11296955
11468365 11505907 11563341 11570758 11707495 11765368
11787413 11870 11954372 11979739 11979861 11980056
11981078 11982252 12085238 12474 13475824 158047
16052002 16071864 16219803 16219861 16682739 174516
178817 17973427 18028 180878 18331348 184718
189656 189657 19926668 19926670 20056478 20056630
20056797 20056798 20288175 20296635 20347823 20508699
21151487 21444347 21444348 21444349 21647387 21707757
221348 223236 223637 223640 224529 224536
224538 224541 224543 224546 224556 224726
225017 225128 225138 22995472 22995473 22995476
22995913 23456668 23616710 23652454 23675757 240091
24040 24184425 24296 245654 24867451 24904
24990493 25067578 25096 25169299 25169432 25169433
25176957 252451 2723841 289810 293433 3038744
3052208 3079368 3079372 3079373 3084267 3084455
3084487 3085150 31043 408524 412532 423191
424803 44219450 44231744 44234555 443381 44553580
44555099 45045851 45107162 45909 46175450 478130
49806428 49835994 49854892 49854893 50250 51348982
51355370 5281033 5281086 53241313 53299313 53326959
53477278 5380440 54598871 54603833 54606533 54607102
54676156 54676870 54678147 54682502 54682527 54686261
54689794 54689796 54690306 54693478 54693480 54698173
54699051 54702486 54702487 54702488 54702519 54715073
54715642 54715816 54717734 54717735 54717736 54718449
54719812 54719879 54720022 54720023 54721293 54721831
54723141 54723319 54725182 54725489 54725490 54732907
54736670 54740721 54742459 5475350 5475709 56652937
56652939 56653292 56833972 56841082 56841415 56841737
56843770 56843825 56925143 5702227 57346988 57346989
57369373 57376112 57405703 57523751 60151349 62987
6332021 6435816 6442252 6446694 6446709 6446710
6451879 6454501 64940 8546 9562066 9578787
9828999 9832856 9833078 9853284 9874944 9895465
9896865 9896952 9918214 9918241 9918483 9918577
9939689 9940100 9941432


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