MMsINC Database Search


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MMsINC code: MMs01986085

Type: Neutral
Formula: C₁₅H₂₂ClNO₂

SMILES:

Clc1ccc(OCCCC(=O)N(CC)CC)cc1C

InChI:

InChI=1/C15H22ClNO2/c1-4-17(5-2)15(18)7-6-10-19-13-8-9-14(16)12(3)11-13/h8-9,11H,4-7,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1825 kcal/mol

Physical Properties
Molecular Weight: 283.799 g/mol	logS: -3.13471	SlogP: 3.67582	Reactive groups: 0

Topological Properties
Globularity: 0.0302808	Sterimol/B1: 2.15242	Sterimol/B2: 2.25812	Sterimol/B3: 3.91115
Sterimol/B4: 6.32315	Sterimol/L: 17.436

Surface and Volume Properties
Accessible surface: 562.701	Positive charged surface: 353.311	Negative charged surface: 209.39	Volume: 286.375
Hydrophobic surface: 487.661	Hydrophilic surface: 75.04

Pharmacophoric Properties
Hydrogen bond donors: 0	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.