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APOLLO-ZINC04277187

 MMsINC code: MMs00057607
Type: Neutral
Formula: C24H26ClNO8
SMILES:   ClCC(OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(O)=O)CNC(C)C
InChI:   InChI=1/C24H26ClNO8/c1-15(2)26-14-18(13-25)32-24(31)20(34-23(30)17-11-7-4-8-12-17)19(21(27)28)33-22(29)16-9-5-3-6-10-16/h3-12,15,18-20,26H,13-14H2,1-2H3,(H,27,28)/t18-,19+,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.6049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.924 g/mol  logS: -5.53333  SlogP: 2.6708  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.129854  Sterimol/B1: 2.14051  Sterimol/B2: 3.15139  Sterimol/B3: 5.94987
  Sterimol/B4: 8.85587  Sterimol/L: 18.0925 
 
 Surface and Volume Properties
  Accessible surface: 736.034  Positive charged surface: 420.181  Negative charged surface: 315.853  Volume: 447.25
  Hydrophobic surface: 515.073  Hydrophilic surface: 220.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.