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PUBCHEM-ZINC02041836

 MMsINC code: MMs02863284
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(NC(CCCCC)C)C
InChI:   InChI=1/C9H19NO/c1-4-5-6-7-8(2)10-9(3)11/h8H,4-7H2,1-3H3,(H,10,11)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=0.86805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -2.17232  SlogP: 2.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714563  Sterimol/B1: 2.61906  Sterimol/B2: 3.32789  Sterimol/B3: 3.86615
  Sterimol/B4: 5.12182  Sterimol/L: 12.5473 
 
 Surface and Volume Properties
  Accessible surface: 412.83  Positive charged surface: 303.449  Negative charged surface: 109.381  Volume: 185.375
  Hydrophobic surface: 324.045  Hydrophilic surface: 88.785
 
 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.