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ASINEX-ZINC00283492

 MMsINC code: MMs00108039
Type: Neutral
Formula: C23H24N2O
SMILES:   O=C(N1CCN(CC1)Cc1cc(ccc1)C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C23H24N2O/c1-18-6-4-7-19(16-18)17-24-12-14-25(15-13-24)23(26)22-11-5-9-20-8-2-3-10-21(20)22/h2-11,16H,12-15,17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.59145  SlogP: 4.37262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129839  Sterimol/B1: 2.15398  Sterimol/B2: 3.56765  Sterimol/B3: 5.67776
  Sterimol/B4: 8.49541  Sterimol/L: 15.9878 
 
 Surface and Volume Properties
  Accessible surface: 624.417  Positive charged surface: 395.742  Negative charged surface: 219.795  Volume: 355.375
  Hydrophobic surface: 592.143  Hydrophilic surface: 32.274
 
 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


MMs00108040
ASINEX-ZINC00283492