MMsINC Database Search


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MMsINC code: MMs02404495

Type: Neutral
Formula: C₁₆H₁₄S₄

SMILES:

S1SSSCC(=C(C1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14S4/c1-3-7-13(8-4-1)15-11-17-19-20-18-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1977 kcal/mol

Physical Properties
Molecular Weight: 334.552 g/mol	logS: -8.10346	SlogP: 6.2888	Reactive groups: 1

Topological Properties
Globularity: 0.301755	Sterimol/B1: 2.45494	Sterimol/B2: 3.30817	Sterimol/B3: 4.57181
Sterimol/B4: 7.04884	Sterimol/L: 12.5086

Surface and Volume Properties
Accessible surface: 483.342	Positive charged surface: 226.886	Negative charged surface: 182.088	Volume: 296.5
Hydrophobic surface: 396.638	Hydrophilic surface: 86.704

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.