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CHEMBLOCK-ZINC03117866

 MMsINC code: MMs00536917
Type: Neutral
Formula: C7H16NO4P
SMILES:   P(O)(=O)(CN(CCC(O)=O)CC)C
InChI:   InChI=1/C7H16NO4P/c1-3-8(5-4-7(9)10)6-13(2,11)12/h3-6H2,1-2H3,(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=22.5772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.182 g/mol  logS: 1.18  SlogP: -0.4295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190669  Sterimol/B1: 2.53616  Sterimol/B2: 3.14986  Sterimol/B3: 3.84009
  Sterimol/B4: 7.00494  Sterimol/L: 11.6002 
 
 Surface and Volume Properties
  Accessible surface: 410.624  Positive charged surface: 267.836  Negative charged surface: 142.788  Volume: 190.25
  Hydrophobic surface: 192.769  Hydrophilic surface: 217.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00536918
CHEMBLOCK-ZINC03117866