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PUBCHEM-ZINC05650800

 MMsINC code: MMs03337111
Type: Neutral
Formula: C10H23O3PS
SMILES:   S=P(OC(C(C)(C)C)C)(OCC)OCC
InChI:   InChI=1/C10H23O3PS/c1-7-11-14(15,12-8-2)13-9(3)10(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=25.4821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.331 g/mol  logS: -3.03337  SlogP: 3.7351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141506  Sterimol/B1: 2.13149  Sterimol/B2: 3.66573  Sterimol/B3: 4.63391
  Sterimol/B4: 8.06434  Sterimol/L: 12.9264 
 
 Surface and Volume Properties
  Accessible surface: 485.631  Positive charged surface: 321.363  Negative charged surface: 164.268  Volume: 255.75
  Hydrophobic surface: 318.994  Hydrophilic surface: 166.637
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.