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PUBCHEM-ZINC05134471

 MMsINC code: MMs03209438
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-24.1393 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: 0.0895875  Sterimol/B1: 2.38285  Sterimol/B2: 2.71807  Sterimol/B3: 3.79595
  Sterimol/B4: 6.40576  Sterimol/L: 12.8373 
 
 Surface and Volume Properties
  Accessible surface: 421.538  Positive charged surface: 272.876  Negative charged surface: 148.661  Volume: 202.125
  Hydrophobic surface: 178.457  Hydrophilic surface: 243.081
 
 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.