MMsINC Database Search


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MMsINC code: MMs00492398

Type: Neutral
Formula: C₁₆H₁₁NO₂

SMILES:

O1C(=NC(=CC1=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17-16(19-15)13-9-5-2-6-10-13/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9015 kcal/mol

Physical Properties
Molecular Weight: 249.269 g/mol	logS: -5.05701	SlogP: 3.0311	Reactive groups: 0

Topological Properties
Globularity: 4.56173e-07	Sterimol/B1: 2.09941	Sterimol/B2: 2.10109	Sterimol/B3: 3.21723
Sterimol/B4: 7.30608	Sterimol/L: 14.5135

Surface and Volume Properties
Accessible surface: 469.552	Positive charged surface: 228.605	Negative charged surface: 240.947	Volume: 242.125
Hydrophobic surface: 396.935	Hydrophilic surface: 72.617

Pharmacophoric Properties
Hydrogen bond donors: 0	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.