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MDPI-ZINC03847291

 MMsINC code: MMs02180764
Type: Neutral
Formula: C24H24N2
SMILES:   [nH]1c2CCCCc2c2c1cc(cc2)C12C(=Nc3c1cccc3)CCCC2
InChI:   InChI=1/C24H24N2/c1-3-9-20-17(7-1)18-13-12-16(15-22(18)25-20)24-14-6-5-11-23(24)26-21-10-4-2-8-19(21)24/h2,4,8,10,12-13,15,25H,1,3,5-7,9,11,14H2/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -5.86964  SlogP: 5.99284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133492  Sterimol/B1: 2.46996  Sterimol/B2: 2.9227  Sterimol/B3: 5.82658
  Sterimol/B4: 8.57952  Sterimol/L: 14.5315 
 
 Surface and Volume Properties
  Accessible surface: 590.784  Positive charged surface: 411.207  Negative charged surface: 174.472  Volume: 346.75
  Hydrophobic surface: 545.369  Hydrophilic surface: 45.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.