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PUBCHEM-ZINC04217444

 MMsINC code: MMs03102431
Type: Neutral
Formula: C7H14NO5P
SMILES:   P(O)(O)(=O)CC1CC(NCC1)C(O)=O
InChI:   InChI=1/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-17.7247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.165 g/mol  logS: 0.68749  SlogP: -1.4533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120683  Sterimol/B1: 2.98036  Sterimol/B2: 3.13993  Sterimol/B3: 3.5738
  Sterimol/B4: 5.13169  Sterimol/L: 12.4222 
 
 Surface and Volume Properties
  Accessible surface: 396.539  Positive charged surface: 258.343  Negative charged surface: 138.196  Volume: 184.375
  Hydrophobic surface: 151.368  Hydrophilic surface: 245.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.