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CHEMBLOCK-ZINC04694554

 MMsINC code: MMs00570288
Type: Neutral
Formula: C26H26N2O2
SMILES:   O=C(N1CCCCC1C)c1ccccc1NC(=O)c1ccccc1-c1ccccc1
InChI:   InChI=1/C26H26N2O2/c1-19-11-9-10-18-28(19)26(30)23-16-7-8-17-24(23)27-25(29)22-15-6-5-14-21(22)20-12-3-2-4-13-20/h2-8,12-17,19H,9-11,18H2,1H3,(H,27,29)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.506 g/mol  logS: -6.90275  SlogP: 5.6205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789757  Sterimol/B1: 2.46604  Sterimol/B2: 4.38291  Sterimol/B3: 5.5491
  Sterimol/B4: 8.30132  Sterimol/L: 16.6404 
 
 Surface and Volume Properties
  Accessible surface: 664.287  Positive charged surface: 411.579  Negative charged surface: 249.655  Volume: 401.375
  Hydrophobic surface: 612.547  Hydrophilic surface: 51.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.