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MMsINC code: MMs00121421

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1ccc(N2CC(CC2=O)C(=O)NCCc2ccccc2)cc1

InChI:

InChI=1/C19H19ClN2O2/c20-16-6-8-17(9-7-16)22-13-15(12-18(22)23)19(24)21-11-10-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8755 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.00445	SlogP: 3.05177	Reactive groups: 0

Topological Properties
Globularity: 0.0805526	Sterimol/B1: 3.48847	Sterimol/B2: 3.61652	Sterimol/B3: 4.50953
Sterimol/B4: 6.29245	Sterimol/L: 18.6242

Surface and Volume Properties
Accessible surface: 610.314	Positive charged surface: 330.555	Negative charged surface: 279.759	Volume: 325.5
Hydrophobic surface: 537.753	Hydrophilic surface: 72.561

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.