MMsINC Database Search


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MMsINC code: MMs01398227

Type: Neutral
Formula: C₁₃H₁₀ClF₂NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(F)ccc2C)ccc1F

InChI:

InChI=1/C13H10ClF2NO2S/c1-8-2-3-9(15)6-13(8)17-20(18,19)10-4-5-12(16)11(14)7-10/h2-7,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5815 kcal/mol

Physical Properties
Molecular Weight: 317.743 g/mol	logS: -4.53144	SlogP: 3.72742	Reactive groups: 0

Topological Properties
Globularity: 0.308427	Sterimol/B1: 2.07507	Sterimol/B2: 2.59534	Sterimol/B3: 5.78455
Sterimol/B4: 7.34508	Sterimol/L: 10.7878

Surface and Volume Properties
Accessible surface: 471.66	Positive charged surface: 179.709	Negative charged surface: 291.951	Volume: 249
Hydrophobic surface: 397.348	Hydrophilic surface: 74.312

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.