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PUBCHEM-ZINC05410581

 MMsINC code: MMs03260269
Type: Neutral
Formula: C5H15N2O3P
SMILES:   P(O)(O)(=O)C(N)CCCCN
InChI:   InChI=1/C5H15N2O3P/c6-4-2-1-3-5(7)11(8,9)10/h5H,1-4,6-7H2,(H2,8,9,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.80893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.16 g/mol  logS: 1.21022  SlogP: -1.4923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948858  Sterimol/B1: 2.60286  Sterimol/B2: 3.64233  Sterimol/B3: 4.05167
  Sterimol/B4: 4.38767  Sterimol/L: 11.8586 
 
 Surface and Volume Properties
  Accessible surface: 378.758  Positive charged surface: 281.577  Negative charged surface: 97.181  Volume: 163.875
  Hydrophobic surface: 134.292  Hydrophilic surface: 244.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03260270
PUBCHEM-ZINC05410581