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PUBCHEM-ZINC01073810

 MMsINC code: MMs02764468
Type: Neutral
Formula: C24H20FN3O
SMILES:   Fc1ccc(cc1)CCNC(=O)c1cc(nc2c1cc(cc2)C)-c1ccncc1
InChI:   InChI=1/C24H20FN3O/c1-16-2-7-22-20(14-16)21(15-23(28-22)18-9-11-26-12-10-18)24(29)27-13-8-17-3-5-19(25)6-4-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.6402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.442 g/mol  logS: -5.85486  SlogP: 4.71679  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324038  Sterimol/B1: 2.0397  Sterimol/B2: 3.59123  Sterimol/B3: 3.6871
  Sterimol/B4: 12.4365  Sterimol/L: 17.9656 
 
 Surface and Volume Properties
  Accessible surface: 677.634  Positive charged surface: 400.928  Negative charged surface: 265.803  Volume: 372.625
  Hydrophobic surface: 608.954  Hydrophilic surface: 68.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.