LigandBoxID:PDB_EVS

NAME:EVS;16-epi-Vellosimine
SMILES: CC=C1CN4C2Cc5c3ccccc3nc5C4CC1C2C=O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
EVS(PDBeCHEM) EVS(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H21N2O 293.390 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 5 -3.8363 -11.7370
LOGS LOGP    
-2.7788 3.6913    

Links to the same SMILES compounds

LIGANDBOX C11633 C11634
ZINC ZINC14767984 ZINC14767984 ZINC14767986
PUBCHEM 11266327 11335328 20055065 3666703 443320
5281960 5281961 5315175 5460105


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