MMsINC Database Search


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MMsINC code: MMs03130355

Type: Neutral
Formula: C₁₈H₂₆S₄

SMILES:

S1CCCSC1(CCCC)c1ccccc1C1SCCCS1

InChI:

InChI=1/C18H26S4/c1-2-3-10-18(21-13-7-14-22-18)16-9-5-4-8-15(16)17-19-11-6-12-20-17/h4-5,8-9,17H,2-3,6-7,10-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7461 kcal/mol

Physical Properties
Molecular Weight: 370.67 g/mol	logS: -7.49685	SlogP: 7.1754	Reactive groups: 0

Topological Properties
Globularity: 0.147848	Sterimol/B1: 2.80094	Sterimol/B2: 5.68379	Sterimol/B3: 6.08955
Sterimol/B4: 6.26271	Sterimol/L: 15.123

Surface and Volume Properties
Accessible surface: 567.386	Positive charged surface: 380.925	Negative charged surface: 186.461	Volume: 351.25
Hydrophobic surface: 461.976	Hydrophilic surface: 105.41

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: 1

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Ions/Tautomers related molecules: no related molecules available.