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CHEMBLOCK-ZINC04751297

 MMsINC code: MMs00576559
Type: Neutral
Formula: C10H21NO
SMILES:   OC1CN(CCC1C)C(C)(C)C
InChI:   InChI=1/C10H21NO/c1-8-5-6-11(7-9(8)12)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=46.8614 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: 0.188564  Sterimol/B1: 3.45364  Sterimol/B2: 3.49331  Sterimol/B3: 3.60104
  Sterimol/B4: 3.76979  Sterimol/L: 10.9053 
 
 Surface and Volume Properties
  Accessible surface: 378.478  Positive charged surface: 293.17  Negative charged surface: 85.3074  Volume: 195.125
  Hydrophobic surface: 272.315  Hydrophilic surface: 106.163
 
 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


MMs00576560
CHEMBLOCK-ZINC04751297