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PUBCHEM-ZINC06565097

 MMsINC code: MMs03799807
Type: Neutral
Formula: C24H22FN3O
SMILES:   Fc1ccccc1C(CC(=O)NC(C)c1ccccc1)c1n2c(nc1)C=CC=C2
InChI:   InChI=1/C24H22FN3O/c1-17(18-9-3-2-4-10-18)27-24(29)15-20(19-11-5-6-12-21(19)25)22-16-26-23-13-7-8-14-28(22)23/h2-14,16-17,20H,15H2,1H3,(H,27,29)/t17-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.5961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.458 g/mol  logS: -4.89071  SlogP: 5.0146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121904  Sterimol/B1: 2.07778  Sterimol/B2: 2.92105  Sterimol/B3: 6.51446
  Sterimol/B4: 7.6668  Sterimol/L: 18.4121 
 
 Surface and Volume Properties
  Accessible surface: 659.967  Positive charged surface: 372.704  Negative charged surface: 287.264  Volume: 377.75
  Hydrophobic surface: 599.1  Hydrophilic surface: 60.867
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.