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NCID-ZINC01613358

 MMsINC code: MMs02263508
Type: Neutral
Formula: C10H17NO3
SMILES:   O=C1CCCC1NC(OC(C)(C)C)=O
InChI:   InChI=1/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7H,4-6H2,1-3H3,(H,11,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=26.2693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -1.58721  SlogP: 1.6327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882925  Sterimol/B1: 2.15267  Sterimol/B2: 2.83857  Sterimol/B3: 4.66673
  Sterimol/B4: 4.69856  Sterimol/L: 13.1354 
 
 Surface and Volume Properties
  Accessible surface: 425.053  Positive charged surface: 296.604  Negative charged surface: 128.449  Volume: 200.875
  Hydrophobic surface: 290.595  Hydrophilic surface: 134.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.