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PUBCHEM-ZINC02000491

 MMsINC code: MMs02842802
Type: Neutral
Formula: C10H23NO
SMILES:   OC(CCC(C(NC)C)C)(C)C
InChI:   InChI=1/C10H23NO/c1-8(9(2)11-5)6-7-10(3,4)12/h8-9,11-12H,6-7H2,1-5H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=32.9119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -0.94365  SlogP: 1.7815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0892071  Sterimol/B1: 1.99131  Sterimol/B2: 2.88261  Sterimol/B3: 3.53502
  Sterimol/B4: 5.69104  Sterimol/L: 13.3537 
 
 Surface and Volume Properties
  Accessible surface: 418.64  Positive charged surface: 325.641  Negative charged surface: 92.9998  Volume: 206.875
  Hydrophobic surface: 289.899  Hydrophilic surface: 128.741
 
 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


MMs02842803
PUBCHEM-ZINC02000491