MMsINC Database Search


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MMsINC code: MMs01972832

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C1Nc2c3c1cccc3c(cc2)CNC(=O)CC

InChI:

InChI=1/C15H14N2O2/c1-2-13(18)16-8-9-6-7-12-14-10(9)4-3-5-11(14)15(19)17-12/h3-7H,2,8H2,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.5021 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.94251	SlogP: 2.6981	Reactive groups: 0

Topological Properties
Globularity: 0.061596	Sterimol/B1: 2.74185	Sterimol/B2: 3.85336	Sterimol/B3: 4.72497
Sterimol/B4: 5.15783	Sterimol/L: 15.114

Surface and Volume Properties
Accessible surface: 472.216	Positive charged surface: 291.328	Negative charged surface: 171.562	Volume: 242.625
Hydrophobic surface: 320.435	Hydrophilic surface: 151.781

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.