MMsINC Database Search


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MMsINC code: MMs02682259

Type: Neutral
Formula: C₁₉H₁₄N₂O₃

SMILES:

o1c2c(nc1-c1cc(N3C(=O)C=CC3=O)ccc1)cc(cc2C)C

InChI:

InChI=1/C19H14N2O3/c1-11-8-12(2)18-15(9-11)20-19(24-18)13-4-3-5-14(10-13)21-16(22)6-7-17(21)23/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7117 kcal/mol

Physical Properties
Molecular Weight: 318.332 g/mol	logS: -6.47301	SlogP: 3.54104	Reactive groups: 1

Topological Properties
Globularity: 0.00459789	Sterimol/B1: 2.49106	Sterimol/B2: 2.51231	Sterimol/B3: 2.51436
Sterimol/B4: 7.81555	Sterimol/L: 16.878

Surface and Volume Properties
Accessible surface: 567.167	Positive charged surface: 301.72	Negative charged surface: 265.447	Volume: 300.875
Hydrophobic surface: 454.213	Hydrophilic surface: 112.954

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.