MMsINC Database Search


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

MMsINC code: MMs02686807

Type: Neutral
Formula: C₁₄H₂₃NO₂S

SMILES:

S(=O)(=O)(N(CCC)CCC)c1cc(C)c(cc1)C

InChI:

InChI=1/C14H23NO2S/c1-5-9-15(10-6-2)18(16,17)14-8-7-12(3)13(4)11-14/h7-8,11H,5-6,9-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0963 kcal/mol

Physical Properties
Molecular Weight: 269.409 g/mol	logS: -3.30424	SlogP: 3.11414	Reactive groups: 0

Topological Properties
Globularity: 0.111336	Sterimol/B1: 1.969	Sterimol/B2: 2.44951	Sterimol/B3: 5.31141
Sterimol/B4: 8.1732	Sterimol/L: 14.0651

Surface and Volume Properties
Accessible surface: 509.878	Positive charged surface: 323.201	Negative charged surface: 186.677	Volume: 276.625
Hydrophobic surface: 414.227	Hydrophilic surface: 95.651

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.