MMsINC Database Search


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MMsINC code: MMs01265601

Type: Neutral
Formula: C₁₄H₁₁ClF₃NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(ccc2)C(F)(F)F)c(cc1)C

InChI:

InChI=1/C14H11ClF3NO2S/c1-9-5-6-11(15)8-13(9)19-22(20,21)12-4-2-3-10(7-12)14(16,17)18/h2-8,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5254 kcal/mol

Physical Properties
Molecular Weight: 349.76 g/mol	logS: -4.99803	SlogP: 4.77952	Reactive groups: 0

Topological Properties
Globularity: 0.283381	Sterimol/B1: 2.55856	Sterimol/B2: 3.22448	Sterimol/B3: 6.02225
Sterimol/B4: 7.19645	Sterimol/L: 10.8962

Surface and Volume Properties
Accessible surface: 493.14	Positive charged surface: 170.455	Negative charged surface: 322.685	Volume: 269.125
Hydrophobic surface: 329.559	Hydrophilic surface: 163.581

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.