MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02677203

Type: Neutral
Formula: C₁₀H₁₄FNO₂S

SMILES:

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

InChI:

InChI=1/C10H14FNO2S/c1-3-8-12(11)15(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7081 kcal/mol

Physical Properties
Molecular Weight: 231.291 g/mol	logS: -2.55538	SlogP: 2.28022	Reactive groups: 0

Topological Properties
Globularity: 0.106832	Sterimol/B1: 2.44898	Sterimol/B2: 2.80732	Sterimol/B3: 4.1346
Sterimol/B4: 7.06686	Sterimol/L: 12.2041

Surface and Volume Properties
Accessible surface: 427.584	Positive charged surface: 263.295	Negative charged surface: 164.289	Volume: 207.25
Hydrophobic surface: 344.531	Hydrophilic surface: 83.053

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.