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CHEMDIV-ZINC04733747

 MMsINC code: MMs00945973
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.922 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: 0.234592  Sterimol/B1: 4.09805  Sterimol/B2: 4.59157  Sterimol/B3: 5.41312
  Sterimol/B4: 8.78615  Sterimol/L: 15.5834 
 
 Surface and Volume Properties
  Accessible surface: 728.606  Positive charged surface: 538.377  Negative charged surface: 190.23  Volume: 436.875
  Hydrophobic surface: 630.095  Hydrophilic surface: 98.511
 
 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.