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NCID-ZINC01686350

 MMsINC code: MMs02319270
Type: Neutral
Formula: C8H15NO5
SMILES:   O(CC)C(=O)NCCOC(OCC)=O
InChI:   InChI=1/C8H15NO5/c1-3-12-7(10)9-5-6-14-8(11)13-4-2/h3-6H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-10.5124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.21 g/mol  logS: -0.97934  SlogP: 0.9056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318746  Sterimol/B1: 2.35493  Sterimol/B2: 2.57279  Sterimol/B3: 3.30923
  Sterimol/B4: 6.20701  Sterimol/L: 15.8471 
 
 Surface and Volume Properties
  Accessible surface: 456.734  Positive charged surface: 341.112  Negative charged surface: 115.622  Volume: 195.125
  Hydrophobic surface: 290.762  Hydrophilic surface: 165.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.