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NCID-ZINC01863485

 MMsINC code: MMs02374554
Type: Neutral
Formula: C5H13O4P
SMILES:   P(O)(O)(=O)C(O)CC(C)C
InChI:   InChI=1/C5H13O4P/c1-4(2)3-5(6)10(7,8)9/h4-6H,3H2,1-2H3,(H2,7,8,9)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-10.8684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.129 g/mol  logS: -0.15863  SlogP: -0.5416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186307  Sterimol/B1: 2.01592  Sterimol/B2: 2.9227  Sterimol/B3: 3.90219
  Sterimol/B4: 4.7218  Sterimol/L: 11.026 
 
 Surface and Volume Properties
  Accessible surface: 348.226  Positive charged surface: 215.109  Negative charged surface: 133.116  Volume: 148.125
  Hydrophobic surface: 137.437  Hydrophilic surface: 210.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.