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MMsINC code: MMs02794222

Type: Neutral
Formula: C₁₆H₂₂ClNO

SMILES:

Clc1cc(ccc1)CCC(=O)NC1CCCCCC1

InChI:

InChI=1/C16H22ClNO/c17-14-7-5-6-13(12-14)10-11-16(19)18-15-8-3-1-2-4-9-15/h5-7,12,15H,1-4,8-11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7683 kcal/mol

Physical Properties
Molecular Weight: 279.811 g/mol	logS: -4.19505	SlogP: 4.11157	Reactive groups: 0

Topological Properties
Globularity: 0.0512764	Sterimol/B1: 2.58971	Sterimol/B2: 2.94232	Sterimol/B3: 4.02132
Sterimol/B4: 5.57746	Sterimol/L: 16.8685

Surface and Volume Properties
Accessible surface: 539.667	Positive charged surface: 334.04	Negative charged surface: 205.627	Volume: 282.625
Hydrophobic surface: 500.658	Hydrophilic surface: 39.009

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