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PUBCHEM-ZINC05651932

 MMsINC code: MMs03337950
Type: Neutral
Formula: C9H18NO7P
SMILES:   P(OCC)(OCC)(=O)CN(CC(O)=O)CC(O)=O
InChI:   InChI=1/C9H18NO7P/c1-3-16-18(15,17-4-2)7-10(5-8(11)12)6-9(13)14/h3-7H2,1-2H3,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=76.1692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.217 g/mol  logS: 0.13913  SlogP: -0.389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273485  Sterimol/B1: 1.9719  Sterimol/B2: 3.84285  Sterimol/B3: 5.52574
  Sterimol/B4: 7.54662  Sterimol/L: 12.5892 
 
 Surface and Volume Properties
  Accessible surface: 511.452  Positive charged surface: 357.916  Negative charged surface: 153.535  Volume: 243.875
  Hydrophobic surface: 266.257  Hydrophilic surface: 245.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03337951
PUBCHEM-ZINC05651932