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CHEMBRIDGE-ZINC04845368

 MMsINC code: MMs00801758
Type: Neutral
Formula: C23H29NO2
SMILES:   O(CCCCN1CCC(CC1)C)c1ccc(cc1)C(=O)c1ccccc1
InChI:   InChI=1/C23H29NO2/c1-19-13-16-24(17-14-19)15-5-6-18-26-22-11-9-21(10-12-22)23(25)20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.1212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.49 g/mol  logS: -5.07887  SlogP: 4.8085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023539  Sterimol/B1: 2.5105  Sterimol/B2: 3.18014  Sterimol/B3: 3.68028
  Sterimol/B4: 5.50438  Sterimol/L: 23.1816 
 
 Surface and Volume Properties
  Accessible surface: 687.236  Positive charged surface: 472.061  Negative charged surface: 215.175  Volume: 371.625
  Hydrophobic surface: 622.969  Hydrophilic surface: 64.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00801759
CHEMBRIDGE-ZINC04845368