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PUBCHEM-ZINC05760924

 MMsINC code: MMs03374147
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OC(C)C)(OCCN(C)C)(=O)C
InChI:   InChI=1/C8H20NO3P/c1-8(2)12-13(5,10)11-7-6-9(3)4/h8H,6-7H2,1-5H3/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.4654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.16369  SlogP: 0.7423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152308  Sterimol/B1: 2.46515  Sterimol/B2: 2.55355  Sterimol/B3: 4.46683
  Sterimol/B4: 7.4033  Sterimol/L: 11.8104 
 
 Surface and Volume Properties
  Accessible surface: 442.99  Positive charged surface: 345.709  Negative charged surface: 97.2809  Volume: 212.625
  Hydrophobic surface: 343.025  Hydrophilic surface: 99.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs03374148
PUBCHEM-ZINC05760924