MMsINC Database Search


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MMsINC code: MMs03873867

Type: Neutral
Formula: C₁₄H₉ClF₅NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(F)c(cc2F)C(F)(F)F)ccc1C

InChI:

InChI=1/C14H9ClF5NO2S/c1-7-2-3-8(4-10(7)15)24(22,23)21-13-6-11(16)9(5-12(13)17)14(18,19)20/h2-6,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.438 kcal/mol

Physical Properties
Molecular Weight: 385.74 g/mol	logS: -5.58799	SlogP: 5.05772	Reactive groups: 0

Topological Properties
Globularity: 0.172016	Sterimol/B1: 2.48597	Sterimol/B2: 3.63814	Sterimol/B3: 4.36177
Sterimol/B4: 7.7245	Sterimol/L: 13.2435

Surface and Volume Properties
Accessible surface: 511.06	Positive charged surface: 159.04	Negative charged surface: 352.02	Volume: 276.375
Hydrophobic surface: 331.636	Hydrophilic surface: 179.424

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.