MMsINC Database Search


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MMsINC code: MMs02686297

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)Nc1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.682 kcal/mol

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

Topological Properties
Globularity: 0.0278977	Sterimol/B1: 3.49412	Sterimol/B2: 3.63	Sterimol/B3: 4.00776
Sterimol/B4: 4.20243	Sterimol/L: 20.384

Surface and Volume Properties
Accessible surface: 578.585	Positive charged surface: 346.547	Negative charged surface: 232.038	Volume: 298.5
Hydrophobic surface: 515.233	Hydrophilic surface: 63.352

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.