MMsINC Database Search


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MMsINC code: MMs02176880

Type: Neutral
Formula: C₁₆H₁₆S₂

SMILES:

S1Cc2c(CSCc3c(C1)cccc3)cccc2

InChI:

InChI=1/C16H16S2/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17-9-13(14)5-1/h1-8H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.424 kcal/mol

Physical Properties
Molecular Weight: 272.436 g/mol	logS: -5.20606	SlogP: 5.9324	Reactive groups: 0

Topological Properties
Globularity: 0.107841	Sterimol/B1: 2.10084	Sterimol/B2: 3.25413	Sterimol/B3: 4.34733
Sterimol/B4: 4.64113	Sterimol/L: 13.6686

Surface and Volume Properties
Accessible surface: 471.485	Positive charged surface: 274.181	Negative charged surface: 197.304	Volume: 264.25
Hydrophobic surface: 391.838	Hydrophilic surface: 79.647

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.