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NCID-ZINC01615656

 MMsINC code: MMs02265267
Type: Neutral
Formula: C5H14N3O3P
SMILES:   P(OCC)(OCC)(=O)NC(N)=N
InChI:   InChI=1/C5H14N3O3P/c1-3-10-12(9,11-4-2)8-5(6)7/h3-4H2,1-2H3,(H4,6,7,8,9)

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Potential Energy
Epot(MMFF94)=-66.6539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.159 g/mol  logS: -0.69826  SlogP: -0.41963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155688  Sterimol/B1: 3.07439  Sterimol/B2: 3.31463  Sterimol/B3: 4.14262
  Sterimol/B4: 5.9316  Sterimol/L: 12.2454 
 
 Surface and Volume Properties
  Accessible surface: 403.739  Positive charged surface: 287.729  Negative charged surface: 116.01  Volume: 173.375
  Hydrophobic surface: 196.914  Hydrophilic surface: 206.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.