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CHEMDIV-ZINC04669790

 MMsINC code: MMs00940863
Type: Neutral
Formula: C23H25FN4O3
SMILES:   Fc1ccc(N2CCN(CC2)C(=O)CN2N=C(CCC2=O)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C23H25FN4O3/c1-31-20-8-2-17(3-9-20)21-10-11-22(29)28(25-21)16-23(30)27-14-12-26(13-15-27)19-6-4-18(24)5-7-19/h2-9H,10-16H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=185.311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.476 g/mol  logS: -4.15827  SlogP: 2.5096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455445  Sterimol/B1: 2.46392  Sterimol/B2: 3.65476  Sterimol/B3: 3.99883
  Sterimol/B4: 9.50418  Sterimol/L: 19.807 
 
 Surface and Volume Properties
  Accessible surface: 710.469  Positive charged surface: 470.14  Negative charged surface: 240.328  Volume: 398.25
  Hydrophobic surface: 614.136  Hydrophilic surface: 96.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.