MMsINC Database Search


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

MMsINC code: MMs02446973

Type: Neutral
Formula: C₁₅H₂₂S₄

SMILES:

S1CCCSCCSCc2c(CSCC1)cccc2

InChI:

InChI=1/C15H22S4/c1-2-5-15-13-19-11-9-17-7-3-6-16-8-10-18-12-14(15)4-1/h1-2,4-5H,3,6-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1984 kcal/mol

Physical Properties
Molecular Weight: 330.605 g/mol	logS: -5.65013	SlogP: 5.5559	Reactive groups: 0

Topological Properties
Globularity: 0.0782785	Sterimol/B1: 2.097	Sterimol/B2: 3.96325	Sterimol/B3: 5.2941
Sterimol/B4: 6.7009	Sterimol/L: 14.0529

Surface and Volume Properties
Accessible surface: 533.27	Positive charged surface: 347.099	Negative charged surface: 186.171	Volume: 317.875
Hydrophobic surface: 419.022	Hydrophilic surface: 114.248

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.