MMsINC Database Search


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MMsINC code: MMs03261866

Type: Neutral
Formula: C₁₁H₁₃F₄NO₂S

SMILES:

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

InChI:

InChI=1/C11H13F4NO2S/c1-8-3-5-9(6-4-8)19(17,18)16(2)7-11(14,15)10(12)13/h3-6,10H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.671 kcal/mol

Physical Properties
Molecular Weight: 299.288 g/mol	logS: -3.00381	SlogP: 3.35572	Reactive groups: 0

Topological Properties
Globularity: 0.150359	Sterimol/B1: 2.84587	Sterimol/B2: 4.08385	Sterimol/B3: 4.86315
Sterimol/B4: 5.59274	Sterimol/L: 12.0534

Surface and Volume Properties
Accessible surface: 452.914	Positive charged surface: 228.862	Negative charged surface: 224.052	Volume: 235.875
Hydrophobic surface: 294.438	Hydrophilic surface: 158.476

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.