MMsINC Database Search


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MMsINC code: MMs02675799

Type: Neutral
Formula: C₁₅H₁₅ClN₂O

SMILES:

Clc1cccc(NC(=O)Nc2cc(ccc2)C)c1C

InChI:

InChI=1/C15H15ClN2O/c1-10-5-3-6-12(9-10)17-15(19)18-14-8-4-7-13(16)11(14)2/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5339 kcal/mol

Physical Properties
Molecular Weight: 274.751 g/mol	logS: -4.62073	SlogP: 4.60084	Reactive groups: 0

Topological Properties
Globularity: 0.0236379	Sterimol/B1: 2.24482	Sterimol/B2: 3.07386	Sterimol/B3: 3.23209
Sterimol/B4: 5.72007	Sterimol/L: 16.1439

Surface and Volume Properties
Accessible surface: 511.533	Positive charged surface: 275.443	Negative charged surface: 236.09	Volume: 261.25
Hydrophobic surface: 458.498	Hydrophilic surface: 53.035

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.