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PUBCHEM-ZINC06439131

 MMsINC code: MMs03729672
Type: Neutral
Formula: C10H20NO6P
SMILES:   P(OCC)(OCC)(=O)C(NC=O)CC(OCC)=O
InChI:   InChI=1/C10H20NO6P/c1-4-15-10(13)7-9(11-8-12)18(14,16-5-2)17-6-3/h8-9H,4-7H2,1-3H3,(H,11,12)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=21.3705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.245 g/mol  logS: -0.83268  SlogP: 0.2076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0541875  Sterimol/B1: 3.48942  Sterimol/B2: 3.64685  Sterimol/B3: 4.91993
  Sterimol/B4: 6.23314  Sterimol/L: 15.8956 
 
 Surface and Volume Properties
  Accessible surface: 541.759  Positive charged surface: 392.975  Negative charged surface: 148.784  Volume: 257.375
  Hydrophobic surface: 348.653  Hydrophilic surface: 193.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.