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PUBCHEM-ZINC03780954

 MMsINC code: MMs03075899
Type: Neutral
Formula: C11H22NO5P
SMILES:   P(O)(O)(=O)CCC1CCCCC1CC(N)C(O)=O
InChI:   InChI=1/C11H22NO5P/c12-10(11(13)14)7-9-4-2-1-3-8(9)5-6-18(15,16)17/h8-10H,1-7,12H2,(H,13,14)(H2,15,16,17)/t8-,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=7.29269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.273 g/mol  logS: -1.37414  SlogP: 0.0924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917071  Sterimol/B1: 2.47433  Sterimol/B2: 2.67514  Sterimol/B3: 3.7928
  Sterimol/B4: 9.25787  Sterimol/L: 13.4291 
 
 Surface and Volume Properties
  Accessible surface: 496.614  Positive charged surface: 336.432  Negative charged surface: 160.182  Volume: 250.875
  Hydrophobic surface: 225.103  Hydrophilic surface: 271.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.