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ACROSORGANICS-ZINC03811320

 MMsINC code: MMs00015109
Type: Neutral
Formula: C4H10N3O5P
SMILES:   P(O)(O)(=O)NC(N(CC(O)=O)C)=N
InChI:   InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

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Potential Energy
Epot(MMFF94)=-94.672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.114 g/mol  logS: 0.86266  SlogP: -2.45033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126812  Sterimol/B1: 2.11598  Sterimol/B2: 3.04247  Sterimol/B3: 3.18216
  Sterimol/B4: 5.31227  Sterimol/L: 11.3532 
 
 Surface and Volume Properties
  Accessible surface: 373.651  Positive charged surface: 232.675  Negative charged surface: 140.976  Volume: 160.125
  Hydrophobic surface: 94.319  Hydrophilic surface: 279.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 6  Acid groups: 0  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: 1
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Ions/Tautomers related molecules


MMs00015110
ACROSORGANICS-ZINC03811320