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CHEMBLOCK-ZINC03115745

 MMsINC code: MMs00536749
Type: Neutral
Formula: C8H18NO5P
SMILES:   P(O)(O)(=O)CN(CCCC)CCC(O)=O
InChI:   InChI=1/C8H18NO5P/c1-2-3-5-9(6-4-8(10)11)7-15(12,13)14/h2-7H2,1H3,(H,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-8.16488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.208 g/mol  logS: 0.55363  SlogP: -0.3718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112094  Sterimol/B1: 3.10597  Sterimol/B2: 3.61591  Sterimol/B3: 3.6386
  Sterimol/B4: 7.20221  Sterimol/L: 13.0183 
 
 Surface and Volume Properties
  Accessible surface: 460.214  Positive charged surface: 304.197  Negative charged surface: 156.017  Volume: 215.375
  Hydrophobic surface: 210.666  Hydrophilic surface: 249.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00536750
CHEMBLOCK-ZINC03115745