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CHEMDIV-ZINC05915398

 MMsINC code: MMs00997645
Type: Neutral
Formula: C23H27NO6
SMILES:   O(C)c1cc(C(O)=O)c(NC(=O)COc2ccc(cc2)C2CCCCC2)cc1OC
InChI:   InChI=1/C23H27NO6/c1-28-20-12-18(23(26)27)19(13-21(20)29-2)24-22(25)14-30-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.47 g/mol  logS: -6.44983  SlogP: 4.4672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0224801  Sterimol/B1: 3.2943  Sterimol/B2: 3.93265  Sterimol/B3: 5.44446
  Sterimol/B4: 6.56224  Sterimol/L: 22.5382 
 
 Surface and Volume Properties
  Accessible surface: 719.221  Positive charged surface: 532.798  Negative charged surface: 186.423  Volume: 394.625
  Hydrophobic surface: 573.724  Hydrophilic surface: 145.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs00997646
CHEMDIV-ZINC05915398