MMsINC Database Search


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MMsINC code: MMs03366555

Type: Neutral
Formula: C₁₀H₁₀F₄OS

SMILES:

S(=O)(Cc1ccccc1)CC(F)(F)C(F)F

InChI:

InChI=1/C10H10F4OS/c11-9(12)10(13,14)7-16(15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1049 kcal/mol

Physical Properties
Molecular Weight: 254.247 g/mol	logS: -2.85054	SlogP: 3.9419	Reactive groups: 0

Topological Properties
Globularity: 0.0617135	Sterimol/B1: 2.66319	Sterimol/B2: 3.59655	Sterimol/B3: 3.6205
Sterimol/B4: 3.7013	Sterimol/L: 14.26

Surface and Volume Properties
Accessible surface: 426.098	Positive charged surface: 194.939	Negative charged surface: 231.159	Volume: 200.875
Hydrophobic surface: 273.382	Hydrophilic surface: 152.716

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.