MMsINC Database Search


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MMsINC code: MMs01684194

Type: Neutral
Formula: C₁₈H₂₀ClNO₂S

SMILES:

Clc1ccccc1S(=O)(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C18H20ClNO2S/c19-17-8-4-5-9-18(17)23(21,22)20-12-10-16(11-13-20)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9819 kcal/mol

Physical Properties
Molecular Weight: 349.882 g/mol	logS: -4.80426	SlogP: 3.98337	Reactive groups: 0

Topological Properties
Globularity: 0.102405	Sterimol/B1: 2.6492	Sterimol/B2: 3.29881	Sterimol/B3: 5.05687
Sterimol/B4: 6.15008	Sterimol/L: 16.0081

Surface and Volume Properties
Accessible surface: 560.911	Positive charged surface: 305.868	Negative charged surface: 255.042	Volume: 321.375
Hydrophobic surface: 509.769	Hydrophilic surface: 51.142

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.