MMsINC Database Search


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MMsINC code: MMs02652875

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1

InChI:

InChI=1/C19H16N2O2/c22-19(13-15-5-2-1-3-6-15)21-16-8-10-17(11-9-16)23-18-7-4-12-20-14-18/h1-12,14H,13H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.177 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.94091	SlogP: 4.05507	Reactive groups: 0

Topological Properties
Globularity: 0.0771023	Sterimol/B1: 2.61736	Sterimol/B2: 3.33847	Sterimol/B3: 4.09728
Sterimol/B4: 5.97702	Sterimol/L: 16.6962

Surface and Volume Properties
Accessible surface: 573.519	Positive charged surface: 371.337	Negative charged surface: 202.182	Volume: 300.5
Hydrophobic surface: 519.611	Hydrophilic surface: 53.908

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.