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IBS-ZINC03881254

 MMsINC code: MMs01871202
Type: Neutral
Formula: C10H17NO4
SMILES:   O(C(=O)C(N1CCCC1)CC(OC)=O)C
InChI:   InChI=1/C10H17NO4/c1-14-9(12)7-8(10(13)15-2)11-5-3-4-6-11/h8H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=57.5815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.73907  SlogP: 0.1869  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0828702  Sterimol/B1: 2.24123  Sterimol/B2: 2.8362  Sterimol/B3: 2.97642
  Sterimol/B4: 7.17979  Sterimol/L: 12.4313 
 
 Surface and Volume Properties
  Accessible surface: 435.038  Positive charged surface: 357.476  Negative charged surface: 77.5625  Volume: 208.375
  Hydrophobic surface: 376.3  Hydrophilic surface: 58.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs01871203
IBS-ZINC03881254