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MMsINC code: MMs00676071

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₂

SMILES:

Clc1cc(NC(=O)c2ccc(OCC)cc2)ccc1N1CCCCC1

InChI:

InChI=1/C20H23ClN2O2/c1-2-25-17-9-6-15(7-10-17)20(24)22-16-8-11-19(18(21)14-16)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.224 kcal/mol

Physical Properties
Molecular Weight: 358.869 g/mol	logS: -5.14831	SlogP: 4.9813	Reactive groups: 0

Topological Properties
Globularity: 0.0237271	Sterimol/B1: 3.49871	Sterimol/B2: 3.50695	Sterimol/B3: 4.5655
Sterimol/B4: 4.69411	Sterimol/L: 21.2232

Surface and Volume Properties
Accessible surface: 642.127	Positive charged surface: 407.264	Negative charged surface: 234.863	Volume: 348
Hydrophobic surface: 565.081	Hydrophilic surface: 77.046

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.