MMsINC Database Search


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

MMsINC code: MMs02800127

Type: Neutral
Formula: C₁₉H₂₁FN₂O₃S

SMILES:

S(=O)(=O)(N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C19H21FN2O3S/c20-17-8-6-15(7-9-17)14-21-19(23)16-10-12-22(13-11-16)26(24,25)18-4-2-1-3-5-18/h1-9,16H,10-14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5137 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -3.84275	SlogP: 2.8092	Reactive groups: 0

Topological Properties
Globularity: 0.10533	Sterimol/B1: 2.4953	Sterimol/B2: 3.10187	Sterimol/B3: 5.48989
Sterimol/B4: 7.65886	Sterimol/L: 16.601

Surface and Volume Properties
Accessible surface: 616.913	Positive charged surface: 349.199	Negative charged surface: 267.715	Volume: 340
Hydrophobic surface: 516.438	Hydrophilic surface: 100.475

Pharmacophoric Properties
Hydrogen bond donors: 1	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.