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PUBCHEM-ZINC06303347

 MMsINC code: MMs03668279
Type: Neutral
Formula: C7H13N2O5P
SMILES:   P12(OC(=O)C(N1)CCC(=O)N)OCCO2
InChI:   InChI=1/C7H13N2O5P/c8-6(10)2-1-5-7(11)14-15(9-5)12-3-4-13-15/h5,9,15H,1-4H2,(H2,8,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=164.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.164 g/mol  logS: -0.98874  SlogP: -0.7764  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0554273  Sterimol/B1: 2.39599  Sterimol/B2: 3.58335  Sterimol/B3: 3.75053
  Sterimol/B4: 5.1115  Sterimol/L: 13.4581 
 
 Surface and Volume Properties
  Accessible surface: 412.351  Positive charged surface: 273.992  Negative charged surface: 138.359  Volume: 192.75
  Hydrophobic surface: 202.117  Hydrophilic surface: 210.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.