MMsINC Database Search


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MMsINC code: MMs02669140

Type: Neutral
Formula: C₁₄H₂₂ClNO₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CCC)CCC)cc1OCC

InChI:

InChI=1/C14H22ClNO3S/c1-4-9-16(10-5-2)20(17,18)12-7-8-13(15)14(11-12)19-6-3/h7-8,11H,4-6,9-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.3334 kcal/mol

Physical Properties
Molecular Weight: 319.853 g/mol	logS: -3.46828	SlogP: 3.5494	Reactive groups: 0

Topological Properties
Globularity: 0.09681	Sterimol/B1: 2.11085	Sterimol/B2: 2.91033	Sterimol/B3: 5.25703
Sterimol/B4: 8.95007	Sterimol/L: 15.4153

Surface and Volume Properties
Accessible surface: 555.924	Positive charged surface: 326.023	Negative charged surface: 229.901	Volume: 300.25
Hydrophobic surface: 435.083	Hydrophilic surface: 120.841

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.