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PUBCHEM-ZINC05828845

 MMsINC code: MMs03404230
Type: Neutral
Formula: C6H15N4O6P
SMILES:   P(OCC(N)C(O)=O)(OCCN=C(N)N)(O)=O
InChI:   InChI=1/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-38.9035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.182 g/mol  logS: 0.4715  SlogP: -3.2649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683691  Sterimol/B1: 2.92555  Sterimol/B2: 3.32384  Sterimol/B3: 4.55115
  Sterimol/B4: 5.22289  Sterimol/L: 15.7111 
 
 Surface and Volume Properties
  Accessible surface: 500.132  Positive charged surface: 347.498  Negative charged surface: 152.634  Volume: 215.75
  Hydrophobic surface: 117.894  Hydrophilic surface: 382.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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.