MMsINC Database Search


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MMsINC code: MMs01224062

Type: Neutral
Formula: C₉H₁₁F₂NO₂S

SMILES:

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

InChI:

InChI=1/C9H11F2NO2S/c1-7-3-5-8(6-4-7)15(13,14)12(2)9(10)11/h3-6,9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.12099 kcal/mol

Physical Properties
Molecular Weight: 235.254 g/mol	logS: -1.85623	SlogP: 2.25802	Reactive groups: 0

Topological Properties
Globularity: 0.112897	Sterimol/B1: 2.87197	Sterimol/B2: 3.60569	Sterimol/B3: 3.64772
Sterimol/B4: 4.33949	Sterimol/L: 12.1614

Surface and Volume Properties
Accessible surface: 405.73	Positive charged surface: 199.732	Negative charged surface: 205.999	Volume: 194.875
Hydrophobic surface: 274.145	Hydrophilic surface: 131.585

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.