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PUBCHEM-ZINC05453921

 MMsINC code: MMs03273692
Type: Neutral
Formula: C6H15N2O2P
SMILES:   P1(OCCN1)(=O)N(CC)CC
InChI:   InChI=1/C6H15N2O2P/c1-3-8(4-2)11(9)7-5-6-10-11/h3-6H2,1-2H3,(H,7,9)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=-24.9188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.172 g/mol  logS: 0.36976  SlogP: -0.0141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176479  Sterimol/B1: 2.35146  Sterimol/B2: 2.71089  Sterimol/B3: 4.50049
  Sterimol/B4: 5.91398  Sterimol/L: 9.73557 
 
 Surface and Volume Properties
  Accessible surface: 364.542  Positive charged surface: 269.714  Negative charged surface: 94.8282  Volume: 169.125
  Hydrophobic surface: 259.12  Hydrophilic surface: 105.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.