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IBS-ZINC04521256

 MMsINC code: MMs01886666
Type: Ionized
Formula: C4H10NO8P2-
SMILES:   P(O)(O)(=O)CN(CC(=O)[O-])CP(O)(O)=O
InChI:   InChI=1/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)/p-1

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Potential Energy
Epot(MMFF94)=-57.1712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.071 g/mol  logS: 2.18332  SlogP: -4.8317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259575  Sterimol/B1: 3.25275  Sterimol/B2: 3.37871  Sterimol/B3: 3.38683
  Sterimol/B4: 6.46346  Sterimol/L: 10.0658 
 
 Surface and Volume Properties
  Accessible surface: 377.517  Positive charged surface: 187.058  Negative charged surface: 190.459  Volume: 177.375
  Hydrophobic surface: 93.1364  Hydrophilic surface: 284.3806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs01886665
IBS-ZINC04521256