MMsINC Database Search


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MMsINC code: MMs00082816

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=C1Nc2c(N(C1)C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C15H12N2O2/c18-14-10-17(13-9-5-4-8-12(13)16-14)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.568 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.59981	SlogP: 2.2855	Reactive groups: 0

Topological Properties
Globularity: 0.0738897	Sterimol/B1: 3.16013	Sterimol/B2: 3.19309	Sterimol/B3: 4.1448
Sterimol/B4: 5.16823	Sterimol/L: 14.2352

Surface and Volume Properties
Accessible surface: 456.309	Positive charged surface: 246.984	Negative charged surface: 209.325	Volume: 235.75
Hydrophobic surface: 352.135	Hydrophilic surface: 104.174

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.