MMsINC Database Search


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MMsINC code: MMs00095741

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

o1c2c(nc1-c1ccc(NC(=O)C)cc1)cccc2

InChI:

InChI=1/C15H12N2O2/c1-10(18)16-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)19-15/h2-9H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7834 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.91	SlogP: 3.4532	Reactive groups: 0

Topological Properties
Globularity: 0.0062568	Sterimol/B1: 2.51296	Sterimol/B2: 2.52572	Sterimol/B3: 3.67555
Sterimol/B4: 4.41799	Sterimol/L: 16.8105

Surface and Volume Properties
Accessible surface: 487.316	Positive charged surface: 282.075	Negative charged surface: 205.24	Volume: 240.5
Hydrophobic surface: 396.382	Hydrophilic surface: 90.934

Pharmacophoric Properties
Hydrogen bond donors: 1	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.