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CHEMDIV-ZINC03039559

 MMsINC code: MMs00906690
Type: Neutral
Formula: C22H23FN2O2
SMILES:   Fc1ccc(cc1)C1N(Cc2ccccc2)C(=O)CN(C1=O)C1CCCC1
InChI:   InChI=1/C22H23FN2O2/c23-18-12-10-17(11-13-18)21-22(27)24(19-8-4-5-9-19)15-20(26)25(21)14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19,21H,4-5,8-9,14-15H2/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.436 g/mol  logS: -4.65924  SlogP: 4.0423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190614  Sterimol/B1: 2.53729  Sterimol/B2: 3.51425  Sterimol/B3: 4.69264
  Sterimol/B4: 11.1574  Sterimol/L: 13.4701 
 
 Surface and Volume Properties
  Accessible surface: 603.315  Positive charged surface: 347.606  Negative charged surface: 255.71  Volume: 352.875
  Hydrophobic surface: 544.518  Hydrophilic surface: 58.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.