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CHEMDIV-ZINC04881935

 MMsINC code: MMs00960503
Type: Neutral
Formula: C25H21FN2O2
SMILES:   Fc1ccc(cc1)CNC(=O)C1C2N(CCc3c2cccc3)C(=O)c2c1cccc2
InChI:   InChI=1/C25H21FN2O2/c26-18-11-9-16(10-12-18)15-27-24(29)22-20-7-3-4-8-21(20)25(30)28-14-13-17-5-1-2-6-19(17)23(22)28/h1-12,22-23H,13-15H2,(H,27,29)/t22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=185.645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.453 g/mol  logS: -5.67067  SlogP: 4.34077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063935  Sterimol/B1: 2.37313  Sterimol/B2: 2.47308  Sterimol/B3: 4.49857
  Sterimol/B4: 10.795  Sterimol/L: 15.8286 
 
 Surface and Volume Properties
  Accessible surface: 610.65  Positive charged surface: 341.341  Negative charged surface: 269.309  Volume: 373.5
  Hydrophobic surface: 551.004  Hydrophilic surface: 59.646
 
 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.