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AURORAFEINCHEMIE-ZINC02139818

 MMsINC code: MMs00451427
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(O)(O)(=O)CCC(N)(C(O)=O)C
InChI:   InChI=1/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-20.8581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 0.8628  SlogP: -1.714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187584  Sterimol/B1: 1.969  Sterimol/B2: 3.51247  Sterimol/B3: 3.63193
  Sterimol/B4: 5.32398  Sterimol/L: 11.742 
 
 Surface and Volume Properties
  Accessible surface: 367.201  Positive charged surface: 217.351  Negative charged surface: 149.85  Volume: 160.875
  Hydrophobic surface: 83.7461  Hydrophilic surface: 283.4549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.