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OTAVA-ZINC05549332

 MMsINC code: MMs02599856
Type: Neutral
Formula: C24H27FN2O4
SMILES:   Fc1ccc(NC(=O)C(OC(=O)C2CC(=O)N(C2)c2ccc(cc2)CCCC)C)cc1
InChI:   InChI=1/C24H27FN2O4/c1-3-4-5-17-6-12-21(13-7-17)27-15-18(14-22(27)28)24(30)31-16(2)23(29)26-20-10-8-19(25)9-11-20/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,26,29)/t16-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.0244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.488 g/mol  logS: -6.31459  SlogP: 4.09157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322219  Sterimol/B1: 2.17627  Sterimol/B2: 4.45395  Sterimol/B3: 5.43605
  Sterimol/B4: 5.97123  Sterimol/L: 24.6059 
 
 Surface and Volume Properties
  Accessible surface: 755.225  Positive charged surface: 461.799  Negative charged surface: 293.427  Volume: 408.875
  Hydrophobic surface: 615.364  Hydrophilic surface: 139.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.