MMsINC Database Search


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MMsINC code: MMs00589275

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.032 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.91501	SlogP: 4.1793	Reactive groups: 0

Topological Properties
Globularity: 0.0279904	Sterimol/B1: 3.32714	Sterimol/B2: 3.57798	Sterimol/B3: 3.85436
Sterimol/B4: 4.18881	Sterimol/L: 19.7218

Surface and Volume Properties
Accessible surface: 584.46	Positive charged surface: 356.843	Negative charged surface: 227.617	Volume: 300
Hydrophobic surface: 520.959	Hydrophilic surface: 63.501

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.