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CHEMDIV-ZINC02724653

 MMsINC code: MMs00887027
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.008 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: 0.305851  Sterimol/B1: 3.44222  Sterimol/B2: 4.98428  Sterimol/B3: 5.35256
  Sterimol/B4: 7.77255  Sterimol/L: 13.8291 
 
 Surface and Volume Properties
  Accessible surface: 599.997  Positive charged surface: 314.922  Negative charged surface: 285.076  Volume: 365.5
  Hydrophobic surface: 502.13  Hydrophilic surface: 97.867
 
 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.