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PUBCHEM-ZINC05674542

 MMsINC code: MMs03343411
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CC(NC(=O)CC(C)(C)C)C)C
InChI:   InChI=1/C10H21NO2/c1-8(7-13-5)11-9(12)6-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=42.5394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -1.98775  SlogP: 1.5737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0983715  Sterimol/B1: 2.16574  Sterimol/B2: 2.71964  Sterimol/B3: 4.00101
  Sterimol/B4: 5.4963  Sterimol/L: 13.5941 
 
 Surface and Volume Properties
  Accessible surface: 437.354  Positive charged surface: 351.425  Negative charged surface: 85.9292  Volume: 207.625
  Hydrophobic surface: 337.691  Hydrophilic surface: 99.663
 
 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.