MMsINC Database Search


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

MMsINC code: MMs00836379

Type: Neutral
Formula: C₁₀H₁₆N₂O₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)C)N(C)C

InChI:

InChI=1/C10H16N2O2S/c1-11(2)15(13,14)12(3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.08333 kcal/mol

Physical Properties
Molecular Weight: 228.316 g/mol	logS: -1.01535	SlogP: 1.1912	Reactive groups: 0

Topological Properties
Globularity: 0.110288	Sterimol/B1: 3.27823	Sterimol/B2: 3.50918	Sterimol/B3: 4.09323
Sterimol/B4: 4.34189	Sterimol/L: 13.264

Surface and Volume Properties
Accessible surface: 427.94	Positive charged surface: 305.452	Negative charged surface: 122.488	Volume: 220
Hydrophobic surface: 379.844	Hydrophilic surface: 48.096

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.