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ACDBLOCKS-ZINC01322255

 MMsINC code: MMs00000277
Type: Neutral
Formula: C15H24N+
SMILES:   [NH2+]1C(CC(c2c(cccc2)C1C)(C)C)(C)C
InChI:   InChI=1/C15H23N/c1-11-12-8-6-7-9-13(12)14(2,3)10-15(4,5)16-11/h6-9,11,16H,10H2,1-5H3/p+1/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.7231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.364 g/mol  logS: -3.4987  SlogP: 2.8664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247499  Sterimol/B1: 2.23057  Sterimol/B2: 2.89267  Sterimol/B3: 4.41265
  Sterimol/B4: 7.05561  Sterimol/L: 11.5965 
 
 Surface and Volume Properties
  Accessible surface: 430.359  Positive charged surface: 299.828  Negative charged surface: 130.531  Volume: 253.875
  Hydrophobic surface: 338.799  Hydrophilic surface: 91.56
 
 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


MMs00000278
ACDBLOCKS-ZINC01322255