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NCID-ZINC01757593

 MMsINC code: MMs02365474
Type: Neutral
Formula: C10H8S2
SMILES:   S(S)c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H8S2/c11-12-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.306 g/mol  logS: -5.38454  SlogP: 3.7767  Reactive groups: 1
 
 Topological Properties
  Globularity: 1.84385e-07  Sterimol/B1: 2.18427  Sterimol/B2: 2.18666  Sterimol/B3: 3.47388
  Sterimol/B4: 4.58881  Sterimol/L: 12.71 
 
 Surface and Volume Properties
  Accessible surface: 376.845  Positive charged surface: 152.704  Negative charged surface: 213.07  Volume: 180.125
  Hydrophobic surface: 376.845  Hydrophilic surface: 0
 
 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.