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ACROSORGANICS-ZINC01680382

 MMsINC code: MMs00010722
Type: Neutral
Formula: C10H7S-
SMILES:   [S-]c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.1437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.232 g/mol  logS: -4.41454  SlogP: 2.7456  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.87209e-09  Sterimol/B1: 2.34781  Sterimol/B2: 2.34819  Sterimol/B3: 3.4482
  Sterimol/B4: 4.59952  Sterimol/L: 11.3296 
 
 Surface and Volume Properties
  Accessible surface: 342.156  Positive charged surface: 129.446  Negative charged surface: 201.639  Volume: 160.125
  Hydrophobic surface: 268.93  Hydrophilic surface: 73.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  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


MMs00010723
ACROSORGANICS-ZINC01680382