LigandBoxID:D02995

NAME:Asenapine maleate;Saphris
SMILES: [Cl]c1ccc3Oc2ccccc2C4CN(CC4c3c1)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02995

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H17NOCl 286.782 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 3 -3.8251 -12.4924
LOGS LOGP    
-4.7947 1.9839    

Links to the same SMILES compounds

LIGANDBOX HTS1610-02405606 HTS1610-02405607
CHEMBL CHEMBL1201756 CHEMBL1201757 CHEMBL504548
ZINC ZINC00002299 ZINC00004893 ZINC34125842
PUBCHEM 10039718 10062617 10085476 10356647 10356737
10356842 10446784 11954293 14577080 156326 163091
25271881 3036780 44178209 44225410 44225411 44225412
44225413 44225414 44479312 46780481 46780482 49800075
49849504 49849505 49849506 49849507 49849508 49849509
56959427 56960601 57354691 57826932 57826933 57826935
6440510 6917875 9846279 9903970


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