MMsINC Database Search


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MMsINC code: MMs02633242

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=C1N(c2cccc(C)c2C)C(=O)c2ncccc12

InChI:

InChI=1/C15H12N2O2/c1-9-5-3-7-12(10(9)2)17-14(18)11-6-4-8-16-13(11)15(17)19/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1876 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.28776	SlogP: 2.49904	Reactive groups: 0

Topological Properties
Globularity: 0.0914939	Sterimol/B1: 2.59833	Sterimol/B2: 3.86658	Sterimol/B3: 4.12541
Sterimol/B4: 6.02991	Sterimol/L: 13.9314

Surface and Volume Properties
Accessible surface: 458.848	Positive charged surface: 253.183	Negative charged surface: 205.665	Volume: 239.75
Hydrophobic surface: 365.026	Hydrophilic surface: 93.822

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.