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NCID-ZINC01764697

 MMsINC code: MMs02369117
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)CC1CCC(C)C1(C)C
InChI:   InChI=1/C10H19NO/c1-7-4-5-8(6-9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H2,11,12)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=48.6529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -3.58273  SlogP: 1.9341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184656  Sterimol/B1: 2.91616  Sterimol/B2: 3.79262  Sterimol/B3: 3.87902
  Sterimol/B4: 4.08256  Sterimol/L: 11.5403 
 
 Surface and Volume Properties
  Accessible surface: 376.171  Positive charged surface: 275.425  Negative charged surface: 100.746  Volume: 186.75
  Hydrophobic surface: 221.33  Hydrophilic surface: 154.841
 
 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.