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NCID-ZINC05202784

 MMsINC code: MMs02448316
Type: Neutral
Formula: C11H19NO
SMILES:   O=C(N)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C11H19NO/c1-10(2)7-4-5-11(3,6-7)8(10)9(12)13/h7-8H,4-6H2,1-3H3,(H2,12,13)/t7-,8+,11+/m0/s1

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Potential Energy
Epot(MMFF94)=71.6407 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.279 g/mol  logS: -3.68246  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.427958  Sterimol/B1: 2.4038  Sterimol/B2: 2.47951  Sterimol/B3: 4.51024
  Sterimol/B4: 6.41825  Sterimol/L: 9.07492 
 
 Surface and Volume Properties
  Accessible surface: 367.207  Positive charged surface: 266.135  Negative charged surface: 101.073  Volume: 194.375
  Hydrophobic surface: 241.667  Hydrophilic surface: 125.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.