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PUBCHEM-ZINC01545121

 MMsINC code: MMs02814148
Type: Neutral
Formula: C8H14NO6P
SMILES:   P(O)(O)(=O)CC(=O)C1CCCNC1C(O)=O
InChI:   InChI=1/C8H14NO6P/c10-6(4-16(13,14)15)5-2-1-3-9-7(5)8(11)12/h5,7,9H,1-4H2,(H,11,12)(H2,13,14,15)/t5-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=-10.3662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.175 g/mol  logS: 0.67599  SlogP: -1.8842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.203465  Sterimol/B1: 2.49055  Sterimol/B2: 3.20802  Sterimol/B3: 3.38178
  Sterimol/B4: 7.45282  Sterimol/L: 11.6134 
 
 Surface and Volume Properties
  Accessible surface: 420.76  Positive charged surface: 275.456  Negative charged surface: 145.304  Volume: 200.875
  Hydrophobic surface: 177.498  Hydrophilic surface: 243.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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.