MMsINC Database Search


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MMsINC code: MMs00074002

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H17ClN2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-13(2)24-22-18(17)15-10-6-7-11-16(15)20/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2189 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -5.71533	SlogP: 4.88992	Reactive groups: 0

Topological Properties
Globularity: 0.190084	Sterimol/B1: 2.45227	Sterimol/B2: 3.79065	Sterimol/B3: 5.07942
Sterimol/B4: 9.45248	Sterimol/L: 13.8936

Surface and Volume Properties
Accessible surface: 579.349	Positive charged surface: 278.755	Negative charged surface: 300.594	Volume: 321.375
Hydrophobic surface: 518.391	Hydrophilic surface: 60.958

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.