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MMsINC code: MMs00658659

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cccc(N2CC(CC2=O)C(=O)NCc2ccccc2)c1C

InChI:

InChI=1/C19H19ClN2O2/c1-13-16(20)8-5-9-17(13)22-12-15(10-18(22)23)19(24)21-11-14-6-3-2-4-7-14/h2-9,15H,10-12H2,1H3,(H,21,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3787 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.10345	SlogP: 3.58412	Reactive groups: 0

Topological Properties
Globularity: 0.0625325	Sterimol/B1: 2.25515	Sterimol/B2: 3.82746	Sterimol/B3: 3.89816
Sterimol/B4: 6.83492	Sterimol/L: 18.8203

Surface and Volume Properties
Accessible surface: 591.469	Positive charged surface: 323.938	Negative charged surface: 267.531	Volume: 325.875
Hydrophobic surface: 519.988	Hydrophilic surface: 71.481

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.