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PUBCHEM-ZINC03646231

 MMsINC code: MMs03032883
Type: Neutral
Formula: C9H18NO5P
SMILES:   P(O)(O)(=O)CCCC1CC(NCC1)C(O)=O
InChI:   InChI=1/C9H18NO5P/c11-9(12)8-6-7(3-4-10-8)2-1-5-16(13,14)15/h7-8,10H,1-6H2,(H,11,12)(H2,13,14,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.9559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.219 g/mol  logS: 0.28395  SlogP: -0.6731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118486  Sterimol/B1: 2.62305  Sterimol/B2: 2.9212  Sterimol/B3: 3.92369
  Sterimol/B4: 5.68661  Sterimol/L: 14.2499 
 
 Surface and Volume Properties
  Accessible surface: 454.64  Positive charged surface: 301.879  Negative charged surface: 152.761  Volume: 218.75
  Hydrophobic surface: 201.213  Hydrophilic surface: 253.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.