MMsINC Database Search


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

MMsINC code: MMs02921663

Type: Neutral
Formula: C₁₄H₂₂FNO₂S

SMILES:

S(=O)(=O)(NCC(CCCC)CC)c1ccc(F)cc1

InChI:

InChI=1/C14H22FNO2S/c1-3-5-6-12(4-2)11-16-19(17,18)14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11H2,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.3088 kcal/mol

Physical Properties
Molecular Weight: 287.399 g/mol	logS: -4.30947	SlogP: 3.3204	Reactive groups: 0

Topological Properties
Globularity: 0.0919909	Sterimol/B1: 3.01341	Sterimol/B2: 3.0697	Sterimol/B3: 4.01711
Sterimol/B4: 6.34595	Sterimol/L: 15.1713

Surface and Volume Properties
Accessible surface: 527.492	Positive charged surface: 310.319	Negative charged surface: 217.174	Volume: 278.125
Hydrophobic surface: 411.975	Hydrophilic surface: 115.517

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

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.