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PUBCHEM-ZINC01088729

 MMsINC code: MMs02767352
Type: Neutral
Formula: C23H24N2O6
SMILES:   O(C)c1cc(ccc1)C1CC(O)CC(C12C(=O)NC(=O)NC2=O)c1cc(OC)ccc1
InChI:   InChI=1/C23H24N2O6/c1-30-16-7-3-5-13(9-16)18-11-15(26)12-19(14-6-4-8-17(10-14)31-2)23(18)20(27)24-22(29)25-21(23)28/h3-10,15,18-19,26H,11-12H2,1-2H3,(H2,24,25,27,28,29)/t15-,18-,19+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.453 g/mol  logS: -4.01729  SlogP: 2.0783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137525  Sterimol/B1: 2.5879  Sterimol/B2: 3.00528  Sterimol/B3: 5.39509
  Sterimol/B4: 8.28597  Sterimol/L: 17.3488 
 
 Surface and Volume Properties
  Accessible surface: 629.418  Positive charged surface: 430.641  Negative charged surface: 198.777  Volume: 380.125
  Hydrophobic surface: 444.038  Hydrophilic surface: 185.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.