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CHEMDIV-ZINC04733750

 MMsINC code: MMs00945976
Type: Neutral
Formula: C26H27N3O5
SMILES:   O(CC)c1ccccc1NC(=O)C1c2c(cc(OC)c(OC)c2)C(=O)N(C)C1c1cccnc1
InChI:   InChI=1/C26H27N3O5/c1-5-34-20-11-7-6-10-19(20)28-25(30)23-17-13-21(32-3)22(33-4)14-18(17)26(31)29(2)24(23)16-9-8-12-27-15-16/h6-15,23-24H,5H2,1-4H3,(H,28,30)/t23-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=213.446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.518 g/mol  logS: -4.46799  SlogP: 4.1422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265955  Sterimol/B1: 2.79989  Sterimol/B2: 4.08503  Sterimol/B3: 7.44062
  Sterimol/B4: 10.0779  Sterimol/L: 15.3168 
 
 Surface and Volume Properties
  Accessible surface: 736.209  Positive charged surface: 548.254  Negative charged surface: 187.955  Volume: 433.5
  Hydrophobic surface: 641.184  Hydrophilic surface: 95.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.