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CHEMBRIDGE-ZINC00659043

 MMsINC code: MMs00638415
Type: Neutral
Formula: C23H24N2O2
SMILES:   O(C)c1cc(ccc1)C(=O)N1CCN(CC1)Cc1cc2c(cc1)cccc2
InChI:   InChI=1/C23H24N2O2/c1-27-22-8-4-7-21(16-22)23(26)25-13-11-24(12-14-25)17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.16791  SlogP: 4.0728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773518  Sterimol/B1: 2.38079  Sterimol/B2: 2.91604  Sterimol/B3: 4.64342
  Sterimol/B4: 9.38759  Sterimol/L: 16.7894 
 
 Surface and Volume Properties
  Accessible surface: 645.009  Positive charged surface: 429.934  Negative charged surface: 204.008  Volume: 362.875
  Hydrophobic surface: 594.156  Hydrophilic surface: 50.853
 
 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


MMs00638416
CHEMBRIDGE-ZINC00659043