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CHEMBLOCK-ZINC04125088

 MMsINC code: MMs00542785
Type: Neutral
Formula: C14H26N+
SMILES:   [NH3+]C(CC12CC3CC(C1)CC(C2)C3)CC
InChI:   InChI=1/C14H25N/c1-2-13(15)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,2-9,15H2,1H3/p+1/t10-,11+,12-,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=36.6408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.369 g/mol  logS: -4.64633  SlogP: 2.6134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178565  Sterimol/B1: 3.5814  Sterimol/B2: 3.81248  Sterimol/B3: 4.04822
  Sterimol/B4: 4.15896  Sterimol/L: 12.9201 
 
 Surface and Volume Properties
  Accessible surface: 430.805  Positive charged surface: 366.02  Negative charged surface: 64.7849  Volume: 237.5
  Hydrophobic surface: 367.933  Hydrophilic surface: 62.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs00542786
CHEMBLOCK-ZINC04125088