MMsINC Database Search


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MMsINC code: MMs01363141

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)c2ncccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.224 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.06793	SlogP: 4.1793	Reactive groups: 0

Topological Properties
Globularity: 0.0268357	Sterimol/B1: 3.33885	Sterimol/B2: 3.58386	Sterimol/B3: 3.70174
Sterimol/B4: 4.30574	Sterimol/L: 20.3972

Surface and Volume Properties
Accessible surface: 589.035	Positive charged surface: 348.082	Negative charged surface: 240.953	Volume: 298.125
Hydrophobic surface: 520.979	Hydrophilic surface: 68.056

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.