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CHEMDIV-ZINC02466561

 MMsINC code: MMs00878406
Type: Neutral
Formula: C24H19FN2O2
SMILES:   Fc1ccccc1NC(=O)C1C2N(CCc3c2cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C24H19FN2O2/c25-19-11-5-6-12-20(19)26-23(28)21-17-9-3-4-10-18(17)24(29)27-14-13-15-7-1-2-8-16(15)22(21)27/h1-12,21-22H,13-14H2,(H,26,28)/t21-,22+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.426 g/mol  logS: -5.72663  SlogP: 4.39667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15161  Sterimol/B1: 2.39108  Sterimol/B2: 2.71392  Sterimol/B3: 5.35889
  Sterimol/B4: 10.8378  Sterimol/L: 14.7605 
 
 Surface and Volume Properties
  Accessible surface: 608.039  Positive charged surface: 331.415  Negative charged surface: 276.624  Volume: 358.875
  Hydrophobic surface: 554.895  Hydrophilic surface: 53.144
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.