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IBS-ZINC03881249

 MMsINC code: MMs01871196
Type: Neutral
Formula: C10H17NO5
SMILES:   O1CCN(CC1)C(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C10H17NO5/c1-14-9(12)7-8(10(13)15-2)11-3-5-16-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=81.4208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.47817  SlogP: -0.5767  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.176072  Sterimol/B1: 3.38866  Sterimol/B2: 3.96462  Sterimol/B3: 4.11496
  Sterimol/B4: 6.16655  Sterimol/L: 12.4915 
 
 Surface and Volume Properties
  Accessible surface: 444.775  Positive charged surface: 381.281  Negative charged surface: 63.494  Volume: 215.25
  Hydrophobic surface: 377.824  Hydrophilic surface: 66.951
 
 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


MMs01871197
IBS-ZINC03881249