MMsINC Database Search


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MMsINC code: MMs02245284

Type: Neutral
Formula: C₁₆H₁₀N₂O₂

SMILES:

O1c2c(-c3n(ncc3C1=O)-c1ccccc1)cccc2

InChI:

InChI=1/C16H10N2O2/c19-16-13-10-17-18(11-6-2-1-3-7-11)15(13)12-8-4-5-9-14(12)20-16/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.834 kcal/mol

Physical Properties
Molecular Weight: 262.268 g/mol	logS: -4.81427	SlogP: 3.0719	Reactive groups: 0

Topological Properties
Globularity: 0.0565162	Sterimol/B1: 2.87969	Sterimol/B2: 2.90453	Sterimol/B3: 4.18522
Sterimol/B4: 6.7389	Sterimol/L: 12.2816

Surface and Volume Properties
Accessible surface: 450.999	Positive charged surface: 238.877	Negative charged surface: 212.122	Volume: 242.5
Hydrophobic surface: 365.987	Hydrophilic surface: 85.012

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.