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AURORAFEINCHEMIE-ZINC02391397

 MMsINC code: MMs00452980
Type: Neutral
Formula: C9H11O2PS2
SMILES:   S1CP(O)(=O)CSC1c1ccccc1
InChI:   InChI=1/C9H11O2PS2/c10-12(11)6-13-9(14-7-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11)

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Potential Energy
Epot(MMFF94)=46.0588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.291 g/mol  logS: -2.20387  SlogP: 2.3759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105946  Sterimol/B1: 3.57512  Sterimol/B2: 3.72573  Sterimol/B3: 3.96193
  Sterimol/B4: 3.9976  Sterimol/L: 13.4203 
 
 Surface and Volume Properties
  Accessible surface: 418.961  Positive charged surface: 219.115  Negative charged surface: 199.846  Volume: 207.5
  Hydrophobic surface: 276.519  Hydrophilic surface: 142.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00452981
AURORAFEINCHEMIE-ZINC02391397