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ACROSORGANICS-ZINC05190925

 MMsINC code: MMs00018711
Type: Neutral
Formula: C10H21NO
SMILES:   OC1CC(CC(C1)(C)C)(CN)C
InChI:   InChI=1/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3/t8-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=48.7238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.34382  SlogP: 1.5224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.316302  Sterimol/B1: 2.12976  Sterimol/B2: 3.21145  Sterimol/B3: 4.83164
  Sterimol/B4: 5.52802  Sterimol/L: 10.6271 
 
 Surface and Volume Properties
  Accessible surface: 375.642  Positive charged surface: 289.987  Negative charged surface: 85.6548  Volume: 190.875
  Hydrophobic surface: 224.992  Hydrophilic surface: 150.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00018712
ACROSORGANICS-ZINC05190925