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CHEMDIV-ZINC02724170

 MMsINC code: MMs00886878
Type: Neutral
Formula: C24H21FN2O2
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(cc2)C)C(=O)c1cc(ccc1)C
InChI:   InChI=1/C24H21FN2O2/c1-15-4-3-5-18(12-15)24(29)27-14-22(28)26-21-11-6-16(2)13-20(21)23(27)17-7-9-19(25)10-8-17/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.442 g/mol  logS: -6.55457  SlogP: 4.72194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.413191  Sterimol/B1: 5.10948  Sterimol/B2: 5.64177  Sterimol/B3: 5.81624
  Sterimol/B4: 6.27103  Sterimol/L: 12.9982 
 
 Surface and Volume Properties
  Accessible surface: 590.936  Positive charged surface: 309.07  Negative charged surface: 281.866  Volume: 364.75
  Hydrophobic surface: 491.466  Hydrophilic surface: 99.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.