MMsINC Database Search


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MMsINC code: MMs03325753

Type: Neutral
Formula: C₁₄H₁₁ClF₃NO₂S

SMILES:

Clc1cc(C(F)(F)F)c(NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C14H11ClF3NO2S/c1-9-2-5-11(6-3-9)22(20,21)19-13-7-4-10(15)8-12(13)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)=51.3395 kcal/mol

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

Topological Properties
Globularity: 0.2715	Sterimol/B1: 3.50863	Sterimol/B2: 4.54189	Sterimol/B3: 5.743
Sterimol/B4: 6.06781	Sterimol/L: 12.4733

Surface and Volume Properties
Accessible surface: 500.267	Positive charged surface: 182.145	Negative charged surface: 318.122	Volume: 271.25
Hydrophobic surface: 343.26	Hydrophilic surface: 157.007

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.