MMsINC Database Search


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MMsINC code: MMs01224064

Type: Neutral
Formula: C₁₂H₁₇F₂NO₂S

SMILES:

S(=O)(=O)(N(C(C)(C)C)C(F)F)c1ccc(cc1)C

InChI:

InChI=1/C12H17F2NO2S/c1-9-5-7-10(8-6-9)18(16,17)15(11(13)14)12(2,3)4/h5-8,11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6673 kcal/mol

Physical Properties
Molecular Weight: 277.335 g/mol	logS: -2.83786	SlogP: 3.42672	Reactive groups: 0

Topological Properties
Globularity: 0.1552	Sterimol/B1: 3.06291	Sterimol/B2: 3.79643	Sterimol/B3: 4.57587
Sterimol/B4: 4.79752	Sterimol/L: 12.8173

Surface and Volume Properties
Accessible surface: 443.114	Positive charged surface: 231.109	Negative charged surface: 212.006	Volume: 240.5
Hydrophobic surface: 299.179	Hydrophilic surface: 143.935

Pharmacophoric Properties
Hydrogen bond donors: 0	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.