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NCID-ZINC01631281

 MMsINC code: MMs02276269
Type: Neutral
Formula: C8H17NO
SMILES:   O1CC(NC1C(C)C)(C)C
InChI:   InChI=1/C8H17NO/c1-6(2)7-9-8(3,4)5-10-7/h6-7,9H,5H2,1-4H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=17.807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.23 g/mol  logS: -0.91486  SlogP: 1.3669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188472  Sterimol/B1: 2.7491  Sterimol/B2: 3.16292  Sterimol/B3: 3.39519
  Sterimol/B4: 4.44279  Sterimol/L: 10.4261 
 
 Surface and Volume Properties
  Accessible surface: 351.112  Positive charged surface: 268.795  Negative charged surface: 82.317  Volume: 165.25
  Hydrophobic surface: 252.533  Hydrophilic surface: 98.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.