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CHEMDIV-ZINC04760362

 MMsINC code: MMs00948244
Type: Neutral
Formula: C28H24FN3O4
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1cc2c(nc1)ccc
c2
InChI:   InChI=1/C28H24FN3O4/c1-32-26(18-9-5-6-10-21(18)29)25(19-13-23(35-2)24(36-3)14-20(19)28(32)34)27(33)31-17-12-16-8-4-7-11-22(16)30-15-17/h4-15,25-26H,1-3H3,(H,31,33)/t25-,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.515 g/mol  logS: -6.23206  SlogP: 5.0358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138009  Sterimol/B1: 2.09356  Sterimol/B2: 2.40212  Sterimol/B3: 7.53096
  Sterimol/B4: 10.6857  Sterimol/L: 18.612 
 
 Surface and Volume Properties
  Accessible surface: 722.51  Positive charged surface: 500.112  Negative charged surface: 216.831  Volume: 442.625
  Hydrophobic surface: 634.662  Hydrophilic surface: 87.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.