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PUBCHEM-ZINC05720837

 MMsINC code: MMs03358503
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1CCN(CC1C)C(C)(C)C
InChI:   InChI=1/C10H19NO/c1-8-7-11(10(2,3)4)6-5-9(8)12/h8H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=33.3424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.91586  SlogP: 1.6958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199344  Sterimol/B1: 2.5113  Sterimol/B2: 3.36623  Sterimol/B3: 3.4446
  Sterimol/B4: 5.79676  Sterimol/L: 10.7774 
 
 Surface and Volume Properties
  Accessible surface: 373.036  Positive charged surface: 265.377  Negative charged surface: 107.659  Volume: 188.875
  Hydrophobic surface: 267.511  Hydrophilic surface: 105.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03358504
PUBCHEM-ZINC05720837