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CHEMBRIDGE-ZINC02267552

 MMsINC code: MMs00705625
Type: Neutral
Formula: C6H12NO5P
SMILES:   P(O)(O)(=O)CN1CCCC1C(O)=O
InChI:   InChI=1/C6H12NO5P/c8-6(9)5-2-1-3-7(5)4-13(10,11)12/h5H,1-4H2,(H,8,9)(H2,10,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=14.0897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.138 g/mol  logS: 0.92737  SlogP: -1.3996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123618  Sterimol/B1: 2.2721  Sterimol/B2: 3.1305  Sterimol/B3: 3.34787
  Sterimol/B4: 6.49528  Sterimol/L: 10.5767 
 
 Surface and Volume Properties
  Accessible surface: 372.51  Positive charged surface: 242.747  Negative charged surface: 129.763  Volume: 170
  Hydrophobic surface: 160.774  Hydrophilic surface: 211.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00705626
CHEMBRIDGE-ZINC02267552