MMsINC Database Search


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MMsINC code: MMs03105351

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=C1N(NC(=O)c2c1cccc2)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6601 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.81624	SlogP: 2.30022	Reactive groups: 0

Topological Properties
Globularity: 0.0688138	Sterimol/B1: 2.32604	Sterimol/B2: 2.44472	Sterimol/B3: 4.14531
Sterimol/B4: 6.01862	Sterimol/L: 14.1826

Surface and Volume Properties
Accessible surface: 451.405	Positive charged surface: 234.242	Negative charged surface: 217.163	Volume: 237.375
Hydrophobic surface: 367.949	Hydrophilic surface: 83.456

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.