MMsINC Database Search


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MMsINC code: MMs00089512

Type: Neutral
Formula: C₁₄H₁₀N₂O₂

SMILES:

o1c2c(cc1C(=O)Nc1ncccc1)cccc2

InChI:

InChI=1/C14H10N2O2/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-9H,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2677 kcal/mol

Physical Properties
Molecular Weight: 238.246 g/mol	logS: -4.00624	SlogP: 3.0801	Reactive groups: 0

Topological Properties
Globularity: 0.000372336	Sterimol/B1: 2.11277	Sterimol/B2: 2.22231	Sterimol/B3: 3.70055
Sterimol/B4: 4.3593	Sterimol/L: 15.9809

Surface and Volume Properties
Accessible surface: 463.757	Positive charged surface: 271.481	Negative charged surface: 186.432	Volume: 225
Hydrophobic surface: 392.696	Hydrophilic surface: 71.061

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.