MMsINC Database Search


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MMsINC code: MMs02909436

Type: Neutral
Formula: C₁₄H₇Cl₂F₆NO₂S

SMILES:

Clc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)c(Cl)cc2)cc1C(F)(F)F

InChI:

InChI=1/C14H7Cl2F6NO2S/c15-11-3-1-7(5-9(11)13(17,18)19)23-26(24,25)8-2-4-12(16)10(6-8)14(20,21)22/h1-6,23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.11 kcal/mol

Physical Properties
Molecular Weight: 438.175 g/mol	logS: -6.6284	SlogP: 6.4548	Reactive groups: 0

Topological Properties
Globularity: 0.297255	Sterimol/B1: 2.64993	Sterimol/B2: 4.72232	Sterimol/B3: 5.67664
Sterimol/B4: 6.00742	Sterimol/L: 12.8731

Surface and Volume Properties
Accessible surface: 538.4	Positive charged surface: 126.343	Negative charged surface: 412.057	Volume: 293.5
Hydrophobic surface: 275.211	Hydrophilic surface: 263.189

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

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Ions/Tautomers related molecules: no related molecules available.