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MMsINC code: MMs03674868

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C1CCN(CC1)Cc1ccccc1O

InChI:

InChI=1/C20H23ClN2O2/c21-18-7-3-1-5-16(18)13-22-20(25)15-9-11-23(12-10-15)14-17-6-2-4-8-19(17)24/h1-8,15,24H,9-14H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3344 kcal/mol

Physical Properties
Molecular Weight: 358.869 g/mol	logS: -3.878	SlogP: 4.1068	Reactive groups: 0

Topological Properties
Globularity: 0.0668265	Sterimol/B1: 3.07312	Sterimol/B2: 4.28468	Sterimol/B3: 5.02476
Sterimol/B4: 5.88727	Sterimol/L: 17.1042

Surface and Volume Properties
Accessible surface: 619.966	Positive charged surface: 383.436	Negative charged surface: 236.53	Volume: 346.25
Hydrophobic surface: 537.781	Hydrophilic surface: 82.185

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03674869
PUBCHEM-ZINC06322911