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PUBCHEM-ZINC01473163

 MMsINC code: MMs02811282
Type: Neutral
Formula: C24H23NO3
SMILES:   O(c1ccc(OCC(=O)NC2c3c(CC2C)cccc3)cc1)c1ccccc1
InChI:   InChI=1/C24H23NO3/c1-17-15-18-7-5-6-10-22(18)24(17)25-23(26)16-27-19-11-13-21(14-12-19)28-20-8-3-2-4-9-20/h2-14,17,24H,15-16H2,1H3,(H,25,26)/t17-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.452 g/mol  logS: -5.74585  SlogP: 5.00287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324331  Sterimol/B1: 2.11293  Sterimol/B2: 2.686  Sterimol/B3: 4.91738
  Sterimol/B4: 8.48171  Sterimol/L: 20.5142 
 
 Surface and Volume Properties
  Accessible surface: 684.575  Positive charged surface: 409.296  Negative charged surface: 275.279  Volume: 373.875
  Hydrophobic surface: 620.398  Hydrophilic surface: 64.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.