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NCID-ZINC01618083

 MMsINC code: MMs02267017
Type: Neutral
Formula: C10H10S4
SMILES:   S(C(=S)c1ccc(cc1)C(SC)=S)C
InChI:   InChI=1/C10H10S4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -6.59694  SlogP: 3.7636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183054  Sterimol/B1: 2.88761  Sterimol/B2: 3.2608  Sterimol/B3: 3.58659
  Sterimol/B4: 4.37298  Sterimol/L: 15.3508 
 
 Surface and Volume Properties
  Accessible surface: 453.054  Positive charged surface: 173.81  Negative charged surface: 279.244  Volume: 229
  Hydrophobic surface: 267.412  Hydrophilic surface: 185.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.