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NCID-ZINC01731973

 MMsINC code: MMs02354750
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-28.7682 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: 0.0984158  Sterimol/B1: 3.25433  Sterimol/B2: 3.26573  Sterimol/B3: 3.30346
  Sterimol/B4: 3.58547  Sterimol/L: 11.9249 
 
 Surface and Volume Properties
  Accessible surface: 346.471  Positive charged surface: 223.747  Negative charged surface: 122.724  Volume: 138.5
  Hydrophobic surface: 114.813  Hydrophilic surface: 231.658
 
 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.