MMsINC Database Search


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

MMsINC code: MMs02922526

Type: Neutral
Formula: C₁₅H₁₇FN₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)N1CCN(CC1)Cc1cc(F)ccc1

InChI:

InChI=1/C15H17FN2O2S2/c16-14-4-1-3-13(11-14)12-17-6-8-18(9-7-17)22(19,20)15-5-2-10-21-15/h1-5,10-11H,6-9,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4967 kcal/mol

Physical Properties
Molecular Weight: 340.443 g/mol	logS: -3.37306	SlogP: 2.6601	Reactive groups: 0

Topological Properties
Globularity: 0.133536	Sterimol/B1: 2.72375	Sterimol/B2: 4.14589	Sterimol/B3: 4.25129
Sterimol/B4: 6.48526	Sterimol/L: 14.8196

Surface and Volume Properties
Accessible surface: 538.993	Positive charged surface: 292.776	Negative charged surface: 246.217	Volume: 292.875
Hydrophobic surface: 473.267	Hydrophilic surface: 65.726

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

MMs02922527
PUBCHEM-ZINC02776610