LigandBoxID:HTS1610-02965621-01

SMILES: CCC(N(c3ccc(cc3OC)OC)C(Cn2nnc(c1ccc(o1)C)n2)=O)C(NC(C)(C)C)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-013335565-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H32N6O5 484.557 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 1 -0.2747 -8.8774
LOGS LOGP    
-5.4415 2.6096    

Links to the same SMILES compounds

LIGANDBOX HTS1610-02965620
ZINC ZINC06631672 ZINC06632178
PUBCHEM 3178726 40631809 40632063

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-02027335

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