MMsINC Database Search


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MMsINC code: MMs02469188

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O(C)c1ccccc1C=1Nc2ncccc2C(=O)C=1

InChI:

InChI=1/C15H12N2O2/c1-19-14-7-3-2-5-10(14)12-9-13(18)11-6-4-8-16-15(11)17-12/h2-9H,1H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0313 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.07786	SlogP: 2.7395	Reactive groups: 1

Topological Properties
Globularity: 0.075505	Sterimol/B1: 2.32276	Sterimol/B2: 2.67058	Sterimol/B3: 3.97427
Sterimol/B4: 6.95877	Sterimol/L: 14.1558

Surface and Volume Properties
Accessible surface: 467.324	Positive charged surface: 308.586	Negative charged surface: 158.738	Volume: 239.375
Hydrophobic surface: 383.637	Hydrophilic surface: 83.687

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.