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NCID-ZINC01597520

 MMsINC code: MMs02251378
Type: Neutral
Formula: C11H23O5PS
SMILES:   S=P(OC(CCC(OCC)=O)C)(OCC)OCC
InChI:   InChI=1/C11H23O5PS/c1-5-13-11(12)9-8-10(4)16-17(18,14-6-2)15-7-3/h10H,5-9H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=9.91007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.34 g/mol  logS: -2.91992  SlogP: 3.0323  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.173821  Sterimol/B1: 2.74791  Sterimol/B2: 3.22693  Sterimol/B3: 5.49821
  Sterimol/B4: 7.52862  Sterimol/L: 15.5508 
 
 Surface and Volume Properties
  Accessible surface: 559.296  Positive charged surface: 383.805  Negative charged surface: 175.491  Volume: 282.375
  Hydrophobic surface: 371.109  Hydrophilic surface: 188.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.