MMsINC Database Search


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MMsINC code: MMs01228290

Type: Neutral
Formula: C₁₆H₁₇F₂NO₂S

SMILES:

S(=O)(=O)(N(C(F)F)c1c(cccc1C)C)c1ccc(cc1)C

InChI:

InChI=1/C16H17F2NO2S/c1-11-7-9-14(10-8-11)22(20,21)19(16(17)18)15-12(2)5-4-6-13(15)3/h4-10,16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1046 kcal/mol

Physical Properties
Molecular Weight: 325.379 g/mol	logS: -4.00103	SlogP: 4.44966	Reactive groups: 0

Topological Properties
Globularity: 0.125218	Sterimol/B1: 3.88454	Sterimol/B2: 4.11102	Sterimol/B3: 4.15392
Sterimol/B4: 5.54678	Sterimol/L: 13.7968

Surface and Volume Properties
Accessible surface: 497.834	Positive charged surface: 247.502	Negative charged surface: 250.332	Volume: 287.25
Hydrophobic surface: 395.063	Hydrophilic surface: 102.771

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.