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CHEMBRIDGE-ZINC02983262

 MMsINC code: MMs00745025
Type: Neutral
Formula: C25H24N2O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C25H24N2O4/c28-23(20-14-8-3-9-15-20)26-21(16-18-10-4-1-5-11-18)24(29)27-22(25(30)31)17-19-12-6-2-7-13-19/h1-15,21-22H,16-17H2,(H,26,28)(H,27,29)(H,30,31)/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.35816  SlogP: 2.83974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152445  Sterimol/B1: 2.154  Sterimol/B2: 3.7603  Sterimol/B3: 5.77361
  Sterimol/B4: 9.25074  Sterimol/L: 16.0242 
 
 Surface and Volume Properties
  Accessible surface: 684.38  Positive charged surface: 383.458  Negative charged surface: 300.922  Volume: 403.625
  Hydrophobic surface: 546.91  Hydrophilic surface: 137.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00745026
CHEMBRIDGE-ZINC02983262