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PUBCHEM-ZINC05907792

 MMsINC code: MMs03439498
Type: Neutral
Formula: C9H19NO
SMILES:   O=C(NCC(C)C)C(C)(C)C
InChI:   InChI=1/C9H19NO/c1-7(2)6-10-8(11)9(3,4)5/h7H,6H2,1-5H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=15.3336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.257 g/mol  logS: -1.10653  SlogP: 1.8047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124715  Sterimol/B1: 2.71903  Sterimol/B2: 3.32269  Sterimol/B3: 3.35602
  Sterimol/B4: 4.17482  Sterimol/L: 12.0985 
 
 Surface and Volume Properties
  Accessible surface: 388.528  Positive charged surface: 276.367  Negative charged surface: 112.161  Volume: 184.75
  Hydrophobic surface: 270.828  Hydrophilic surface: 117.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.