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AURORAFEINCHEMIE-ZINC02391343

 MMsINC code: MMs00452950
Type: Neutral
Formula: C12H19O2PS2
SMILES:   S(P(=S)(OCCC)OCCC)c1ccccc1
InChI:   InChI=1/C12H19O2PS2/c1-3-10-13-15(16,14-11-4-2)17-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=15.4388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.388 g/mol  logS: -4.85028  SlogP: 4.8564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814127  Sterimol/B1: 2.85674  Sterimol/B2: 4.23407  Sterimol/B3: 4.64891
  Sterimol/B4: 7.40504  Sterimol/L: 14.4954 
 
 Surface and Volume Properties
  Accessible surface: 526.893  Positive charged surface: 298.413  Negative charged surface: 228.48  Volume: 277.25
  Hydrophobic surface: 381.927  Hydrophilic surface: 144.966
 
 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.