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PUBCHEM-ZINC04011949

 MMsINC code: MMs03087141
Type: Neutral
Formula: C10H20NO4P
SMILES:   P(OCC)(=O)(CN1CCCC1C(OC)=O)C
InChI:   InChI=1/C10H20NO4P/c1-4-15-16(3,13)8-11-7-5-6-9(11)10(12)14-2/h9H,4-8H2,1-3H3/t9-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=70.3544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.247 g/mol  logS: -0.24797  SlogP: 0.4555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074087  Sterimol/B1: 2.50867  Sterimol/B2: 3.75812  Sterimol/B3: 4.14789
  Sterimol/B4: 6.25007  Sterimol/L: 14.1693 
 
 Surface and Volume Properties
  Accessible surface: 489.086  Positive charged surface: 374.659  Negative charged surface: 114.427  Volume: 238.625
  Hydrophobic surface: 386.916  Hydrophilic surface: 102.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.