MMsINC Database Search


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

MMsINC code: MMs02217152

Type: Neutral
Formula: C₁₅H₁₇NO₂S₂

SMILES:

S(=NS(=O)(=O)c1ccc(cc1)C)(C)c1ccc(cc1)C

InChI:

InChI=1/C15H17NO2S2/c1-12-4-8-14(9-5-12)19(3)16-20(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0254 kcal/mol

Physical Properties
Molecular Weight: 307.438 g/mol	logS: -5.27501	SlogP: 3.58804	Reactive groups: 0

Topological Properties
Globularity: 0.108783	Sterimol/B1: 2.22311	Sterimol/B2: 3.25508	Sterimol/B3: 4.40895
Sterimol/B4: 7.59328	Sterimol/L: 16.1949

Surface and Volume Properties
Accessible surface: 551.855	Positive charged surface: 285.719	Negative charged surface: 266.137	Volume: 284.375
Hydrophobic surface: 498.553	Hydrophilic surface: 53.302

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 3	Basic groups: 1
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.