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CHEMBLOCK-ZINC04343954

 MMsINC code: MMs00548344
Type: Neutral
Formula: C10H21NO
SMILES:   OC1CC(CN(C1)C(C)(C)C)C
InChI:   InChI=1/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=46.3549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.02167  SlogP: 1.4876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225334  Sterimol/B1: 2.38431  Sterimol/B2: 3.39974  Sterimol/B3: 3.61148
  Sterimol/B4: 5.85543  Sterimol/L: 10.6874 
 
 Surface and Volume Properties
  Accessible surface: 381.301  Positive charged surface: 291.755  Negative charged surface: 89.5463  Volume: 195.625
  Hydrophobic surface: 269.294  Hydrophilic surface: 112.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00548345
CHEMBLOCK-ZINC04343954