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PUBCHEM-ZINC06437258

 MMsINC code: MMs03727723
Type: Neutral
Formula: C8H19N4O6P
SMILES:   P(OCC(N(C)C)C(O)=O)(OCCN=C(N)N)(O)=O
InChI:   InChI=1/C8H19N4O6P/c1-12(2)6(7(13)14)5-18-19(15,16)17-4-3-11-8(9)10/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)(H4,9,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.6213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.236 g/mol  logS: 0.26497  SlogP: -2.662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957138  Sterimol/B1: 2.645  Sterimol/B2: 3.06776  Sterimol/B3: 4.98532
  Sterimol/B4: 6.80597  Sterimol/L: 14.6247 
 
 Surface and Volume Properties
  Accessible surface: 546.665  Positive charged surface: 414.78  Negative charged surface: 131.885  Volume: 250.625
  Hydrophobic surface: 236.437  Hydrophilic surface: 310.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.