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PUBCHEM-ZINC06483344

 MMsINC code: MMs03759719
Type: Neutral
Formula: C4H12N3O4P
SMILES:   P(OCCN=C(N)N)(OC)(O)=O
InChI:   InChI=1/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)

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Potential Energy
Epot(MMFF94)=-56.2979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.131 g/mol  logS: 0.1587  SlogP: -2.047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466442  Sterimol/B1: 2.84221  Sterimol/B2: 2.94994  Sterimol/B3: 3.68065
  Sterimol/B4: 4.79918  Sterimol/L: 12.723 
 
 Surface and Volume Properties
  Accessible surface: 401.064  Positive charged surface: 300.772  Negative charged surface: 100.293  Volume: 162.125
  Hydrophobic surface: 158.709  Hydrophilic surface: 242.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.