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PUBCHEM-ZINC04764725

 MMsINC code: MMs03168206
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(Cc1ccccc1)C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)CC(C)C)C
InChI:   InChI=1/C24H30N2O5/c1-17(2)14-21(26-24(29)31-16-20-12-8-5-9-13-20)22(27)25-18(3)23(28)30-15-19-10-6-4-7-11-19/h4-13,17-18,21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t18-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.1441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.8431  SlogP: 4.1084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041157  Sterimol/B1: 1.98512  Sterimol/B2: 3.19445  Sterimol/B3: 5.73664
  Sterimol/B4: 8.99366  Sterimol/L: 23.1873 
 
 Surface and Volume Properties
  Accessible surface: 788.687  Positive charged surface: 495.089  Negative charged surface: 293.598  Volume: 423.75
  Hydrophobic surface: 615.729  Hydrophilic surface: 172.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.