MMsINC Database Search


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MMsINC code: MMs03140312

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccc(NC(=O)c2cc(ccc2)C)cc1)c1cccnc1

InChI:

InChI=1/C19H16N2O2/c1-14-4-2-5-15(12-14)19(22)21-16-7-9-17(10-8-16)23-18-6-3-11-20-13-18/h2-13H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.472 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.35336	SlogP: 4.43462	Reactive groups: 0

Topological Properties
Globularity: 0.05569	Sterimol/B1: 2.40332	Sterimol/B2: 3.95485	Sterimol/B3: 4.02588
Sterimol/B4: 5.89051	Sterimol/L: 17.6926

Surface and Volume Properties
Accessible surface: 567.469	Positive charged surface: 352.11	Negative charged surface: 215.359	Volume: 300.5
Hydrophobic surface: 514.924	Hydrophilic surface: 52.545

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.