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NCID-ZINC01756769

 MMsINC code: MMs02365065
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)C1(CC(CC1)C(C)C)C
InChI:   InChI=1/C10H19NO/c1-7(2)8-4-5-10(3,6-8)9(11)12/h7-8H,4-6H2,1-3H3,(H2,11,12)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=27.2381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -2.95583  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214187  Sterimol/B1: 2.30319  Sterimol/B2: 3.50428  Sterimol/B3: 3.97101
  Sterimol/B4: 5.20066  Sterimol/L: 10.8311 
 
 Surface and Volume Properties
  Accessible surface: 379.843  Positive charged surface: 275.708  Negative charged surface: 104.135  Volume: 188
  Hydrophobic surface: 237.72  Hydrophilic surface: 142.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.