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IBS-ZINC02115330

 MMsINC code: MMs01788563
Type: Neutral
Formula: C7H16NO5P
SMILES:   P(O)(O)(=O)CCC(N)(C(C)C)C(O)=O
InChI:   InChI=1/C7H16NO5P/c1-5(2)7(8,6(9)10)3-4-14(11,12)13/h5H,3-4,8H2,1-2H3,(H,9,10)(H2,11,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.80187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.181 g/mol  logS: 0.45926  SlogP: -1.0779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204249  Sterimol/B1: 2.27062  Sterimol/B2: 3.44837  Sterimol/B3: 4.68472
  Sterimol/B4: 4.97045  Sterimol/L: 11.4614 
 
 Surface and Volume Properties
  Accessible surface: 398.054  Positive charged surface: 236.151  Negative charged surface: 161.903  Volume: 194.25
  Hydrophobic surface: 115.979  Hydrophilic surface: 282.075
 
 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


MMs01788564
IBS-ZINC02115330