LigandBoxID:KSH2016-01675561-01

SMILES: CCCCCC(=Cc1ccccc1)C=NN2C(Nc4c3cc(ccc3nc4C2=O)OC)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

Kishida2016
KS122-1864376

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C25H26N4O3 430.508 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.5609 -8.6013
LOGS LOGP    
-8.0543 3.6788    

Links to the same SMILES compounds

LIGANDBOX HTS1610-02167033
ZINC ZINC02281019
PUBCHEM 5123974 5600133 6882470 6882471 6882472

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-01453017

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