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IBS-ZINC01856281

 MMsINC code: MMs01778972
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)CCCCCC(N)C(O)=O
InChI:   InChI=1/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-27.0958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.5847  SlogP: -0.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519588  Sterimol/B1: 2.61581  Sterimol/B2: 2.77784  Sterimol/B3: 3.94072
  Sterimol/B4: 4.24627  Sterimol/L: 14.9732 
 
 Surface and Volume Properties
  Accessible surface: 444.227  Positive charged surface: 291.006  Negative charged surface: 153.221  Volume: 197.875
  Hydrophobic surface: 161.284  Hydrophilic surface: 282.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.