MMsINC Database Search


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MMsINC code: MMs01629001

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1cc(ccc1)C)c1ccc(NC(=O)c2ncccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.366 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.50628	SlogP: 4.43462	Reactive groups: 0

Topological Properties
Globularity: 0.0496674	Sterimol/B1: 3.33379	Sterimol/B2: 3.70706	Sterimol/B3: 3.86016
Sterimol/B4: 4.26048	Sterimol/L: 19.2519

Surface and Volume Properties
Accessible surface: 571.503	Positive charged surface: 343.452	Negative charged surface: 228.051	Volume: 298.625
Hydrophobic surface: 511.828	Hydrophilic surface: 59.675

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.