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IBS-ZINC02139819

 MMsINC code: MMs01794644
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-16.9615 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: 0.17431  Sterimol/B1: 2.0676  Sterimol/B2: 3.52539  Sterimol/B3: 3.74077
  Sterimol/B4: 5.03326  Sterimol/L: 11.6916 
 
 Surface and Volume Properties
  Accessible surface: 364.987  Positive charged surface: 211.55  Negative charged surface: 153.436  Volume: 158.625
  Hydrophobic surface: 83.8218  Hydrophilic surface: 281.1652
 
 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.