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CHEMDIV-ZINC02724654

 MMsINC code: MMs00887028
Type: Neutral
Formula: C24H21FN2O2
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3cc(cc(c3)C)C)C2c2ccccc2)cc1
InChI:   InChI=1/C24H21FN2O2/c1-15-10-16(2)12-18(11-15)24(29)27-14-22(28)26-21-9-8-19(25)13-20(21)23(27)17-6-4-3-5-7-17/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)=157.396 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: 0.300926  Sterimol/B1: 3.84255  Sterimol/B2: 3.94034  Sterimol/B3: 6.39879
  Sterimol/B4: 7.23726  Sterimol/L: 13.8943 
 
 Surface and Volume Properties
  Accessible surface: 593.137  Positive charged surface: 313.968  Negative charged surface: 279.168  Volume: 365.875
  Hydrophobic surface: 495.399  Hydrophilic surface: 97.738
 
 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.