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PUBCHEM-ZINC06061070

 MMsINC code: MMs03518288
Type: Neutral
Formula: C24H26N2O
SMILES:   O=C(N1CCN(CC1)CCCc1ccccc1)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H26N2O/c27-24(23-14-6-12-21-11-4-5-13-22(21)23)26-18-16-25(17-19-26)15-7-10-20-8-2-1-3-9-20/h1-6,8-9,11-14H,7,10,15-19H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -5.38077  SlogP: 4.23037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094547  Sterimol/B1: 2.79711  Sterimol/B2: 4.29715  Sterimol/B3: 4.80034
  Sterimol/B4: 7.52869  Sterimol/L: 17.9347 
 
 Surface and Volume Properties
  Accessible surface: 656.632  Positive charged surface: 419.751  Negative charged surface: 228.653  Volume: 374.125
  Hydrophobic surface: 629.865  Hydrophilic surface: 26.767
 
 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


MMs03518289
PUBCHEM-ZINC06061070