MMsINC Database Search


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MMsINC code: MMs02324801

Type: Neutral
Formula: C₁₇H₂₆ClNO

SMILES:

Clc1ccc(cc1)C(=O)N(CCCCC)CCCCC

InChI:

InChI=1/C17H26ClNO/c1-3-5-7-13-19(14-8-6-4-2)17(20)15-9-11-16(18)12-10-15/h9-12H,3-8,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5636 kcal/mol

Physical Properties
Molecular Weight: 295.854 g/mol	logS: -5.27815	SlogP: 5.1626	Reactive groups: 0

Topological Properties
Globularity: 0.0544494	Sterimol/B1: 2.91943	Sterimol/B2: 3.55475	Sterimol/B3: 5.31398
Sterimol/B4: 7.44372	Sterimol/L: 16.0263

Surface and Volume Properties
Accessible surface: 587.384	Positive charged surface: 370.257	Negative charged surface: 217.126	Volume: 313.75
Hydrophobic surface: 514.372	Hydrophilic surface: 73.012

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.