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PUBCHEM-ZINC05351707

 MMsINC code: MMs03245735
Type: Neutral
Formula: C10H19N
SMILES:   N1(CCC(=CC1)C(C)(C)C)C
InChI:   InChI=1/C10H19N/c1-10(2,3)9-5-7-11(4)8-6-9/h5H,6-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=41.6115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.90107  SlogP: 2.2944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152381  Sterimol/B1: 2.09995  Sterimol/B2: 3.49832  Sterimol/B3: 3.73856
  Sterimol/B4: 4.99605  Sterimol/L: 10.7702 
 
 Surface and Volume Properties
  Accessible surface: 375.977  Positive charged surface: 307.191  Negative charged surface: 68.7854  Volume: 184.625
  Hydrophobic surface: 302.777  Hydrophilic surface: 73.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03245736
PUBCHEM-ZINC05351707