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PUBCHEM-ZINC05221254

 MMsINC code: MMs03225010
Type: Neutral
Formula: C26H32N2O7
SMILES:   O(Cc1ccccc1)C(=O)CCC(NC(OC(C)(C)C)=O)C(=O)NCC(OCc1ccccc1)=O
InChI:   InChI=1/C26H32N2O7/c1-26(2,3)35-25(32)28-21(14-15-22(29)33-17-19-10-6-4-7-11-19)24(31)27-16-23(30)34-18-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3,(H,27,31)(H,28,32)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.549 g/mol  logS: -5.42996  SlogP: 3.7957  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0405399  Sterimol/B1: 3.06493  Sterimol/B2: 4.09145  Sterimol/B3: 5.11965
  Sterimol/B4: 11.3242  Sterimol/L: 24.1965 
 
 Surface and Volume Properties
  Accessible surface: 872.813  Positive charged surface: 558.425  Negative charged surface: 314.388  Volume: 466
  Hydrophobic surface: 660.79  Hydrophilic surface: 212.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.