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ACROSORGANICS-ZINC03811320

 MMsINC code: MMs00015110
Type: Ionized
Formula: C4H9N3O5P-
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)/p-1

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Potential Energy
Epot(MMFF94)=-126.404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.106 g/mol  logS: 0.60221  SlogP: -3.78503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103846  Sterimol/B1: 2.17601  Sterimol/B2: 2.58118  Sterimol/B3: 3.46865
  Sterimol/B4: 5.85751  Sterimol/L: 11.4449 
 
 Surface and Volume Properties
  Accessible surface: 360.212  Positive charged surface: 194.621  Negative charged surface: 165.59  Volume: 153.625
  Hydrophobic surface: 110.185  Hydrophilic surface: 250.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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: 1
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Parent related molecule:


MMs00015109
ACROSORGANICS-ZINC03811320