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CHEMDIV-ZINC05024871

 MMsINC code: MMs00979630
Type: Neutral
Formula: C24H23NO3
SMILES:   O1c2c(cccc2)C(c2c1cccc2)C(OCCN(Cc1ccccc1)C)=O
InChI:   InChI=1/C24H23NO3/c1-25(17-18-9-3-2-4-10-18)15-16-27-24(26)23-19-11-5-7-13-21(19)28-22-14-8-6-12-20(22)23/h2-14,23H,15-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.26 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.452 g/mol  logS: -5.68528  SlogP: 4.8658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122068  Sterimol/B1: 3.89858  Sterimol/B2: 4.02983  Sterimol/B3: 4.53938
  Sterimol/B4: 8.18356  Sterimol/L: 16.6052 
 
 Surface and Volume Properties
  Accessible surface: 653.7  Positive charged surface: 411.691  Negative charged surface: 242.01  Volume: 370.75
  Hydrophobic surface: 626.301  Hydrophilic surface: 27.399
 
 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


MMs00979631
CHEMDIV-ZINC05024871