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NCID-ZINC06005839

 MMsINC code: MMs02515962
Type: Neutral
Formula: C12H21NO
SMILES:   O(C(=N)C)C1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C12H21NO/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10,13H,5-7H2,1-4H3/b13-8+/t9-,10-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=75.2058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.306 g/mol  logS: -3.00991  SlogP: 3.21497  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.283198  Sterimol/B1: 2.32434  Sterimol/B2: 3.83704  Sterimol/B3: 4.14554
  Sterimol/B4: 5.87307  Sterimol/L: 11.2803 
 
 Surface and Volume Properties
  Accessible surface: 407.768  Positive charged surface: 293.025  Negative charged surface: 114.742  Volume: 214.25
  Hydrophobic surface: 315.503  Hydrophilic surface: 92.265
 
 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.