MMsINC Database Search


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MMsINC code: MMs03217661

Type: Neutral
Formula: C₁₅H₁₀N₂O

SMILES:

Oc1cc2c3c([nH]c2cc1)c1ncccc1cc3

InChI:

InChI=1/C15H10N2O/c18-10-4-6-13-12(8-10)11-5-3-9-2-1-7-16-14(9)15(11)17-13/h1-8,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2371 kcal/mol

Physical Properties
Molecular Weight: 234.258 g/mol	logS: -3.74805	SlogP: 3.5749	Reactive groups: 0

Topological Properties
Globularity: 0.00212855	Sterimol/B1: 2.10573	Sterimol/B2: 2.24641	Sterimol/B3: 3.89844
Sterimol/B4: 4.78984	Sterimol/L: 14.1828

Surface and Volume Properties
Accessible surface: 437.534	Positive charged surface: 246.527	Negative charged surface: 174.615	Volume: 220
Hydrophobic surface: 346.919	Hydrophilic surface: 90.615

Pharmacophoric Properties
Hydrogen bond donors: 2	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.