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MMsINC code: MMs01641113

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1cc(OCC(=O)N2CCN(CC2)C(=O)c2ccccc2)ccc1

InChI:

InChI=1/C19H19ClN2O3/c20-16-7-4-8-17(13-16)25-14-18(23)21-9-11-22(12-10-21)19(24)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.949 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.21945	SlogP: 2.7034	Reactive groups: 0

Topological Properties
Globularity: 0.0388892	Sterimol/B1: 3.15146	Sterimol/B2: 3.20814	Sterimol/B3: 3.5464
Sterimol/B4: 7.96112	Sterimol/L: 17.3855

Surface and Volume Properties
Accessible surface: 610.197	Positive charged surface: 341.664	Negative charged surface: 268.532	Volume: 330.75
Hydrophobic surface: 533.37	Hydrophilic surface: 76.827

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.