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NCID-ZINC04726994

 MMsINC code: MMs02398768
Type: Neutral
Formula: C11H19NO
SMILES:   O=C(N)CC1C2CC(CC2)C1(C)C
InChI:   InChI=1/C11H19NO/c1-11(2)8-4-3-7(5-8)9(11)6-10(12)13/h7-9H,3-6H2,1-2H3,(H2,12,13)/t7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=67.0008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.279 g/mol  logS: -3.99591  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28444  Sterimol/B1: 2.10274  Sterimol/B2: 2.87823  Sterimol/B3: 4.98472
  Sterimol/B4: 5.7841  Sterimol/L: 10.8154 
 
 Surface and Volume Properties
  Accessible surface: 377.049  Positive charged surface: 275.203  Negative charged surface: 101.846  Volume: 195
  Hydrophobic surface: 247.079  Hydrophilic surface: 129.97
 
 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.