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ASINEX-ZINC04715659

 MMsINC code: MMs00364522
Type: Neutral
Formula: C20H24N2O
SMILES:   O=C(N1CCN(CC1)Cc1ccccc1C)Cc1ccccc1
InChI:   InChI=1/C20H24N2O/c1-17-7-5-6-10-19(17)16-21-11-13-22(14-12-21)20(23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.425 g/mol  logS: -3.77504  SlogP: 3.14829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0741212  Sterimol/B1: 2.33643  Sterimol/B2: 3.18815  Sterimol/B3: 4.34477
  Sterimol/B4: 6.71495  Sterimol/L: 17.8206 
 
 Surface and Volume Properties
  Accessible surface: 579.775  Positive charged surface: 390.547  Negative charged surface: 189.228  Volume: 326.75
  Hydrophobic surface: 548.379  Hydrophilic surface: 31.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00364523
ASINEX-ZINC04715659