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PUBCHEM-ZINC05591372

 MMsINC code: MMs03315930
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(NCCC)C(CCC)C
InChI:   InChI=1/C9H19NO/c1-4-6-8(3)9(11)10-7-5-2/h8H,4-7H2,1-3H3,(H,10,11)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=4.22574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -1.73343  SlogP: 1.9488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456176  Sterimol/B1: 2.51303  Sterimol/B2: 2.95926  Sterimol/B3: 2.99721
  Sterimol/B4: 4.48428  Sterimol/L: 14.6362 
 
 Surface and Volume Properties
  Accessible surface: 410.232  Positive charged surface: 307.021  Negative charged surface: 103.211  Volume: 186.125
  Hydrophobic surface: 304.303  Hydrophilic surface: 105.929
 
 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.