MMsINC Database Search


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MMsINC code: MMs01265524

Type: Neutral
Formula: C₁₄H₁₁ClF₃NO₂S

SMILES:

Clc1cc(ccc1NS(=O)(=O)c1cc(ccc1)C(F)(F)F)C

InChI:

InChI=1/C14H11ClF3NO2S/c1-9-5-6-13(12(15)7-9)19-22(20,21)11-4-2-3-10(8-11)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)=60.478 kcal/mol

Physical Properties
Molecular Weight: 349.76 g/mol	logS: -5.31148	SlogP: 4.77952	Reactive groups: 0

Topological Properties
Globularity: 0.204768	Sterimol/B1: 3.79688	Sterimol/B2: 3.87852	Sterimol/B3: 4.71254
Sterimol/B4: 6.56963	Sterimol/L: 12.4008

Surface and Volume Properties
Accessible surface: 497.735	Positive charged surface: 182.162	Negative charged surface: 315.573	Volume: 271.375
Hydrophobic surface: 328.513	Hydrophilic surface: 169.222

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.