LigandBoxID:D01629

SMILES: CON=C(c1csc(n1)N)C(NC2C(N3C(C(OCOC(C(C)(C)C)=O)=O)=C(CSC32)C)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01629

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H25N5O7S2 511.578 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
9 2 -0.6207 -8.7794
LOGS LOGP    
-4.9802 2.5047    

Links to the same SMILES compounds

LIGANDBOX C13089
ZINC ZINC03922078 ZINC11616418 ZINC11616419 ZINC34027229


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