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PUBCHEM-ZINC04988024

 MMsINC code: MMs03187934
Type: Neutral
Formula: C15H26N2
SMILES:   N1(CCN(CC1)C)CC=1CCC(CC=1)C(C)=C
InChI:   InChI=1/C15H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17/h4,15H,1,5-12H2,2-3H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=59.8395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -2.31538  SlogP: 2.5364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878078  Sterimol/B1: 2.02264  Sterimol/B2: 3.15222  Sterimol/B3: 4.13603
  Sterimol/B4: 6.09893  Sterimol/L: 15.7669 
 
 Surface and Volume Properties
  Accessible surface: 502.152  Positive charged surface: 418.387  Negative charged surface: 83.7646  Volume: 268.625
  Hydrophobic surface: 447.483  Hydrophilic surface: 54.669
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03187935
PUBCHEM-ZINC04988024