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NCID-ZINC01720914

 MMsINC code: MMs02345816
Type: Ionized
Formula: C5H11NO5P-
SMILES:   P(O)(O)(=O)C(N)CCCC(=O)[O-]
InChI:   InChI=1/C5H12NO5P/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-17.5869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.119 g/mol  logS: 0.96514  SlogP: -2.7011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103863  Sterimol/B1: 2.60989  Sterimol/B2: 3.94269  Sterimol/B3: 4.00702
  Sterimol/B4: 4.21043  Sterimol/L: 11.9641 
 
 Surface and Volume Properties
  Accessible surface: 369.212  Positive charged surface: 209.432  Negative charged surface: 159.78  Volume: 157.875
  Hydrophobic surface: 95.8742  Hydrophilic surface: 273.3378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs02345815
NCID-ZINC01720914