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CHEMDIV-ZINC02468659

 MMsINC code: MMs00878909
Type: Neutral
Formula: C26H21F2N3O2
SMILES:   Fc1cc(F)ccc1NC(=O)C1c2c(cccc2)C(=O)N(C)C1c1c2c(n(c1)C)cccc2
InChI:   InChI=1/C26H21F2N3O2/c1-30-14-19(16-7-5-6-10-22(16)30)24-23(17-8-3-4-9-18(17)26(33)31(24)2)25(32)29-21-12-11-15(27)13-20(21)28/h3-14,23-24H,1-2H3,(H,29,32)/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.469 g/mol  logS: -6.02165  SlogP: 5.4604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185547  Sterimol/B1: 4.84637  Sterimol/B2: 5.17644  Sterimol/B3: 5.27726
  Sterimol/B4: 7.23875  Sterimol/L: 17.0749 
 
 Surface and Volume Properties
  Accessible surface: 678.799  Positive charged surface: 403.505  Negative charged surface: 271.365  Volume: 405.5
  Hydrophobic surface: 628.971  Hydrophilic surface: 49.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.