MMsINC Database Search


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MMsINC code: MMs02627399

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccccc1C(=O)NCc1ncccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5267 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.9764	SlogP: 4.0703	Reactive groups: 0

Topological Properties
Globularity: 0.0548138	Sterimol/B1: 2.60252	Sterimol/B2: 3.52638	Sterimol/B3: 3.59464
Sterimol/B4: 6.63353	Sterimol/L: 18.2141

Surface and Volume Properties
Accessible surface: 573.655	Positive charged surface: 346.831	Negative charged surface: 226.824	Volume: 299
Hydrophobic surface: 516.49	Hydrophilic surface: 57.165

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.