MMsINC Database Search


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

MMsINC code: MMs00887168

Type: Neutral
Formula: C₁₄H₁₅FN₂O₂S

SMILES:

S(=O)(=O)(N(CCc1ncccc1)C)c1ccc(F)cc1

InChI:

InChI=1/C14H15FN2O2S/c1-17(11-9-13-4-2-3-10-16-13)20(18,19)14-7-5-12(15)6-8-14/h2-8,10H,9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.7124 kcal/mol

Physical Properties
Molecular Weight: 294.35 g/mol	logS: -2.31757	SlogP: 2.08387	Reactive groups: 0

Topological Properties
Globularity: 0.056311	Sterimol/B1: 2.21309	Sterimol/B2: 2.35917	Sterimol/B3: 4.62647
Sterimol/B4: 7.34903	Sterimol/L: 15.0294

Surface and Volume Properties
Accessible surface: 511.367	Positive charged surface: 300.147	Negative charged surface: 211.22	Volume: 265.125
Hydrophobic surface: 454.904	Hydrophilic surface: 56.463

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.