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PUBCHEM-ZINC05849031

 MMsINC code: MMs03415620
Type: Neutral
Formula: C12H32N4O3P2
SMILES:   P(OP(=O)(N(CC)CC)N(C)C)(=O)(N(CC)CC)N(C)C
InChI:   InChI=1/C12H32N4O3P2/c1-9-15(10-2)20(17,13(5)6)19-21(18,14(7)8)16(11-3)12-4/h9-12H2,1-8H3/t20-,21-/m0/s1

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Potential Energy
Epot(MMFF94)=-16.6976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.361 g/mol  logS: 0.61922  SlogP: 0.8856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21038  Sterimol/B1: 2.80673  Sterimol/B2: 4.30148  Sterimol/B3: 6.13813
  Sterimol/B4: 6.45707  Sterimol/L: 13.9164 
 
 Surface and Volume Properties
  Accessible surface: 563.414  Positive charged surface: 450.001  Negative charged surface: 113.412  Volume: 331.375
  Hydrophobic surface: 448.842  Hydrophilic surface: 114.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.