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PUBCHEM-ZINC01996486

 MMsINC code: MMs02839476
Type: Neutral
Formula: C10H19N
SMILES:   N(C(CC1CCC=C1)C)(C)C
InChI:   InChI=1/C10H19N/c1-9(11(2)3)8-10-6-4-5-7-10/h4,6,9-10H,5,7-8H2,1-3H3/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=46.7186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.13914  SlogP: 2.2928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169477  Sterimol/B1: 2.54681  Sterimol/B2: 3.09708  Sterimol/B3: 3.68006
  Sterimol/B4: 5.49189  Sterimol/L: 10.5682 
 
 Surface and Volume Properties
  Accessible surface: 371.983  Positive charged surface: 304.632  Negative charged surface: 67.3506  Volume: 183.875
  Hydrophobic surface: 325.941  Hydrophilic surface: 46.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02839477
PUBCHEM-ZINC01996486