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CHEMBLOCK-ZINC04343062

 MMsINC code: MMs00547772
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1CC(N(CC1C)C(C)C)C
InChI:   InChI=1/C10H19NO/c1-7(2)11-6-8(3)10(12)5-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=25.65 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.91586  SlogP: 1.6942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223653  Sterimol/B1: 2.50407  Sterimol/B2: 3.33905  Sterimol/B3: 3.59253
  Sterimol/B4: 6.28674  Sterimol/L: 10.0115 
 
 Surface and Volume Properties
  Accessible surface: 379.262  Positive charged surface: 268.375  Negative charged surface: 110.887  Volume: 189.875
  Hydrophobic surface: 266.558  Hydrophilic surface: 112.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00547773
CHEMBLOCK-ZINC04343062