MMsINC Database Search


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MMsINC code: MMs02395062

Type: Neutral
Formula: C₁₅H₁₆S₂

SMILES:

SC(S)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C15H16S2/c16-15(17,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16-17H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1507 kcal/mol

Physical Properties
Molecular Weight: 260.425 g/mol	logS: -5.28216	SlogP: 4.02764	Reactive groups: 1

Topological Properties
Globularity: 0.104168	Sterimol/B1: 2.11156	Sterimol/B2: 3.79143	Sterimol/B3: 3.79198
Sterimol/B4: 4.57956	Sterimol/L: 14.2061

Surface and Volume Properties
Accessible surface: 465.756	Positive charged surface: 247.416	Negative charged surface: 218.339	Volume: 261.625
Hydrophobic surface: 413.444	Hydrophilic surface: 52.312

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.