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PUBCHEM-ZINC05828862

 MMsINC code: MMs03404238
Type: Neutral
Formula: C4H11O5P
SMILES:   P(O)(O)(=O)CCC(O)CO
InChI:   InChI=1/C4H11O5P/c5-3-4(6)1-2-10(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-28.8045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.101 g/mol  logS: 1.28229  SlogP: -2.1628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115542  Sterimol/B1: 2.89405  Sterimol/B2: 3.2548  Sterimol/B3: 3.26639
  Sterimol/B4: 3.56037  Sterimol/L: 11.9621 
 
 Surface and Volume Properties
  Accessible surface: 344.889  Positive charged surface: 223.179  Negative charged surface: 121.709  Volume: 137.375
  Hydrophobic surface: 113.944  Hydrophilic surface: 230.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.