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MMsINC code: MMs00993684

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂

SMILES:

Clc1ccc(cc1)C(N1CCOCC1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C19H21ClN2O2/c1-14-2-8-17(9-3-14)21-19(23)18(22-10-12-24-13-11-22)15-4-6-16(20)7-5-15/h2-9,18H,10-13H2,1H3,(H,21,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.692 kcal/mol

Physical Properties
Molecular Weight: 344.842 g/mol	logS: -4.75245	SlogP: 3.75592	Reactive groups: 0

Topological Properties
Globularity: 0.116819	Sterimol/B1: 3.32854	Sterimol/B2: 4.64315	Sterimol/B3: 5.71844
Sterimol/B4: 7.58423	Sterimol/L: 15.5014

Surface and Volume Properties
Accessible surface: 607.583	Positive charged surface: 370.555	Negative charged surface: 237.028	Volume: 330.125
Hydrophobic surface: 573.528	Hydrophilic surface: 34.055

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00993685
CHEMDIV-ZINC05165102