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CHEMBRIDGE-ZINC04991164

 MMsINC code: MMs00823177
Type: Neutral
Formula: C23H24N2O
SMILES:   O=C(Nc1ccc(cc1)CN1CCCCC1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C23H24N2O/c26-23(21-11-10-19-6-2-3-7-20(19)16-21)24-22-12-8-18(9-13-22)17-25-14-4-1-5-15-25/h2-3,6-13,16H,1,4-5,14-15,17H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.6153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.85835  SlogP: 5.3444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265693  Sterimol/B1: 3.11423  Sterimol/B2: 3.98205  Sterimol/B3: 4.02357
  Sterimol/B4: 4.32819  Sterimol/L: 20.7513 
 
 Surface and Volume Properties
  Accessible surface: 635.645  Positive charged surface: 406.964  Negative charged surface: 217.198  Volume: 353.5
  Hydrophobic surface: 593.191  Hydrophilic surface: 42.454
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00823178
CHEMBRIDGE-ZINC04991164