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PUBCHEM-ZINC03085981

 MMsINC code: MMs02991572
Type: Neutral
Formula: C24H23NO3
SMILES:   OC(=O)c1ccccc1N(C(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
InChI:   InChI=1/C24H23NO3/c1-24(2,3)18-15-13-17(14-16-18)22(26)25(19-9-5-4-6-10-19)21-12-8-7-11-20(21)23(27)28/h4-16H,1-3H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=190.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.452 g/mol  logS: -7.06172  SlogP: 5.6608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116333  Sterimol/B1: 2.56075  Sterimol/B2: 3.41758  Sterimol/B3: 6.41059
  Sterimol/B4: 7.37087  Sterimol/L: 16.4649 
 
 Surface and Volume Properties
  Accessible surface: 606.966  Positive charged surface: 363.161  Negative charged surface: 243.805  Volume: 368.25
  Hydrophobic surface: 469.964  Hydrophilic surface: 137.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02991573
PUBCHEM-ZINC03085981