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NCID-ZINC05714472

 MMsINC code: MMs02488675
Type: Neutral
Formula: C10H19NO3
SMILES:   OC1CCCC1NC(OC(C)(C)C)=O
InChI:   InChI=1/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=28.3936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -1.37317  SlogP: 1.4245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938177  Sterimol/B1: 2.08532  Sterimol/B2: 3.73425  Sterimol/B3: 4.05785
  Sterimol/B4: 4.85943  Sterimol/L: 13.0926 
 
 Surface and Volume Properties
  Accessible surface: 437.174  Positive charged surface: 325.97  Negative charged surface: 111.204  Volume: 207.25
  Hydrophobic surface: 302.303  Hydrophilic surface: 134.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.