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NCID-ZINC05368862

 MMsINC code: MMs02455111
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)C1C(CCC1C)C(C)C
InChI:   InChI=1/C10H19NO/c1-6(2)8-5-4-7(3)9(8)10(11)12/h6-9H,4-5H2,1-3H3,(H2,11,12)/t7-,8+,9-/m1/s1

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Potential Energy
Epot(MMFF94)=31.5003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -3.26928  SlogP: 1.79  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169337  Sterimol/B1: 2.80715  Sterimol/B2: 3.95696  Sterimol/B3: 4.11083
  Sterimol/B4: 4.68221  Sterimol/L: 10.5922 
 
 Surface and Volume Properties
  Accessible surface: 376.591  Positive charged surface: 277.431  Negative charged surface: 99.1602  Volume: 187.75
  Hydrophobic surface: 241.58  Hydrophilic surface: 135.011
 
 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.