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BACHEM-ZINC04899674

 MMsINC code: MMs00485183
Type: Neutral
Formula: C24H24N2O3
SMILES:   OC(=O)C(N)CC(=O)NC(c1ccc(cc1)C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-17-12-14-20(15-13-17)24(18-8-4-2-5-9-18,19-10-6-3-7-11-19)26-22(27)16-21(25)23(28)29/h2-15,21H,16,25H2,1H3,(H,26,27)(H,28,29)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.10985  SlogP: 3.51662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.403166  Sterimol/B1: 1.969  Sterimol/B2: 4.63897  Sterimol/B3: 6.33949
  Sterimol/B4: 10.4725  Sterimol/L: 14.6189 
 
 Surface and Volume Properties
  Accessible surface: 648.99  Positive charged surface: 393.301  Negative charged surface: 255.689  Volume: 379.625
  Hydrophobic surface: 503.347  Hydrophilic surface: 145.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00485184
BACHEM-ZINC04899674