MMsINC Database Search


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

MMsINC code: MMs00580698

Type: Neutral
Formula: C₁₄H₂₀FNO₂S

SMILES:

S(=O)(=O)(NC1CCCCC1C)c1cc(C)c(F)cc1

InChI:

InChI=1/C14H20FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h7-10,14,16H,3-6H2,1-2H3/t10-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.9317 kcal/mol

Physical Properties
Molecular Weight: 285.383 g/mol	logS: -3.35122	SlogP: 2.99112	Reactive groups: 0

Topological Properties
Globularity: 0.170652	Sterimol/B1: 3.42955	Sterimol/B2: 3.48286	Sterimol/B3: 5.05933
Sterimol/B4: 5.92408	Sterimol/L: 13.132

Surface and Volume Properties
Accessible surface: 482.222	Positive charged surface: 289.126	Negative charged surface: 193.096	Volume: 264
Hydrophobic surface: 398.609	Hydrophilic surface: 83.613

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.