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PUBCHEM-ZINC02047260

 MMsINC code: MMs02865310
Type: Neutral
Formula: C6H15N2O4P
SMILES:   P(O)(O)(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-66.4574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.17 g/mol  logS: -0.45629  SlogP: -1.5015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241419  Sterimol/B1: 2.7036  Sterimol/B2: 3.98953  Sterimol/B3: 4.31302
  Sterimol/B4: 4.90523  Sterimol/L: 10.4981 
 
 Surface and Volume Properties
  Accessible surface: 388.553  Positive charged surface: 240.246  Negative charged surface: 148.307  Volume: 180
  Hydrophobic surface: 125.754  Hydrophilic surface: 262.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.