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CHEMBRIDGE-ZINC04985645

 MMsINC code: MMs00819563
Type: Neutral
Formula: C20H24N2
SMILES:   N(C1CCN(CC1)CC)C1c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C20H24N2/c1-2-22-13-11-15(12-14-22)21-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21H,2,11-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.0869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.426 g/mol  logS: -4.45164  SlogP: 3.9258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523217  Sterimol/B1: 2.60415  Sterimol/B2: 4.08047  Sterimol/B3: 4.93893
  Sterimol/B4: 6.90264  Sterimol/L: 15.7401 
 
 Surface and Volume Properties
  Accessible surface: 556.063  Positive charged surface: 362.741  Negative charged surface: 180.929  Volume: 314.125
  Hydrophobic surface: 520.962  Hydrophilic surface: 35.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00819564
CHEMBRIDGE-ZINC04985645