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NCID-ZINC01670938

 MMsINC code: MMs02306945
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(NC)C(CCCC)CC
InChI:   InChI=1/C9H19NO/c1-4-6-7-8(5-2)9(11)10-3/h8H,4-7H2,1-3H3,(H,10,11)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=7.97119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -2.23489  SlogP: 1.9488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902475  Sterimol/B1: 2.56758  Sterimol/B2: 3.25884  Sterimol/B3: 3.7805
  Sterimol/B4: 6.23689  Sterimol/L: 12.0055 
 
 Surface and Volume Properties
  Accessible surface: 404.598  Positive charged surface: 325.799  Negative charged surface: 78.7986  Volume: 185.5
  Hydrophobic surface: 321.868  Hydrophilic surface: 82.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.