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NCID-ZINC01601419

 MMsINC code: MMs02254332
Type: Neutral
Formula: C8H22N2O4P2
SMILES:   [PH](O)(=O)C(NCCNC([PH](O)=O)(C)C)(C)C
InChI:   InChI=1/C8H22N2O4P2/c1-7(2,15(11)12)9-5-6-10-8(3,4)16(13)14/h9-10,15-16H,5-6H2,1-4H3,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=56.3125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.222 g/mol  logS: -0.61004  SlogP: -1.5686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0982738  Sterimol/B1: 2.18262  Sterimol/B2: 2.69052  Sterimol/B3: 4.57146
  Sterimol/B4: 5.31314  Sterimol/L: 15.8333 
 
 Surface and Volume Properties
  Accessible surface: 494.747  Positive charged surface: 278.375  Negative charged surface: 216.372  Volume: 245.125
  Hydrophobic surface: 232.97  Hydrophilic surface: 261.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.