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PUBCHEM-ZINC02047077

 MMsINC code: MMs02865254
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(NC(CCC)C)CCC
InChI:   InChI=1/C9H19NO/c1-4-6-8(3)10-9(11)7-5-2/h8H,4-7H2,1-3H3,(H,10,11)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=0.674964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -1.85887  SlogP: 2.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689514  Sterimol/B1: 2.49802  Sterimol/B2: 2.83038  Sterimol/B3: 3.0545
  Sterimol/B4: 6.24845  Sterimol/L: 13.3149 
 
 Surface and Volume Properties
  Accessible surface: 413.112  Positive charged surface: 306.988  Negative charged surface: 106.124  Volume: 187.5
  Hydrophobic surface: 308.767  Hydrophilic surface: 104.345
 
 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.