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VITASM-ZINC04670449

 MMsINC code: MMs03954543
Type: Neutral
Formula: C6H13O4P
SMILES:   P(O)(O)(=O)C1CCCCC1O
InChI:   InChI=1/C6H13O4P/c7-5-3-1-2-4-6(5)11(8,9)10/h5-7H,1-4H2,(H2,8,9,10)/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-34.9368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: 0.3256  SlogP: -0.6026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206155  Sterimol/B1: 2.917  Sterimol/B2: 3.41969  Sterimol/B3: 3.56091
  Sterimol/B4: 4.89515  Sterimol/L: 10.1951 
 
 Surface and Volume Properties
  Accessible surface: 337.915  Positive charged surface: 229.739  Negative charged surface: 108.177  Volume: 153.625
  Hydrophobic surface: 174.886  Hydrophilic surface: 163.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.