MMsINC Database Search


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MMsINC code: MMs01427882

Type: Neutral
Formula: C₁₄H₁₀ClF₄NO₂S

SMILES:

Clc1ccc(cc1S(=O)(=O)Nc1ccc(F)cc1C)C(F)(F)F

InChI:

InChI=1/C14H10ClF4NO2S/c1-8-6-10(16)3-5-12(8)20-23(21,22)13-7-9(14(17,18)19)2-4-11(13)15/h2-7,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6867 kcal/mol

Physical Properties
Molecular Weight: 367.75 g/mol	logS: -5.29301	SlogP: 4.91862	Reactive groups: 0

Topological Properties
Globularity: 0.123338	Sterimol/B1: 4.01033	Sterimol/B2: 4.11867	Sterimol/B3: 4.28263
Sterimol/B4: 6.11978	Sterimol/L: 13.1453

Surface and Volume Properties
Accessible surface: 502.182	Positive charged surface: 162.073	Negative charged surface: 340.108	Volume: 272.875
Hydrophobic surface: 337.182	Hydrophilic surface: 165

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.