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CHEMBLOCK-ZINC04751298

 MMsINC code: MMs00576561
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-/m0/s1

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Potential Energy
Epot(MMFF94)=44.2665 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: 0.164371  Sterimol/B1: 3.1954  Sterimol/B2: 3.51754  Sterimol/B3: 3.52253
  Sterimol/B4: 4.65841  Sterimol/L: 10.9887 
 
 Surface and Volume Properties
  Accessible surface: 382.746  Positive charged surface: 291.728  Negative charged surface: 91.0176  Volume: 192.5
  Hydrophobic surface: 269.797  Hydrophilic surface: 112.949
 
 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


MMs00576562
CHEMBLOCK-ZINC04751298