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CHEMBRIDGE-ZINC01212485

 MMsINC code: MMs00688713
Type: Neutral
Formula: C24H21F3N4O4
SMILES:   FC(F)(F)C=1n2ncc(c2N=C(C=1)c1ccc(cc1)C)C(=O)Nc1cc(OC)c(OC)c(
OC)c1
InChI:   InChI=1/C24H21F3N4O4/c1-13-5-7-14(8-6-13)17-11-20(24(25,26)27)31-22(30-17)16(12-28-31)23(32)29-15-9-18(33-2)21(35-4)19(10-15)34-3/h5-12H,1-4H3,(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.45 g/mol  logS: -6.64798  SlogP: 5.42712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417953  Sterimol/B1: 2.14539  Sterimol/B2: 3.26709  Sterimol/B3: 4.71764
  Sterimol/B4: 10.9098  Sterimol/L: 18.4234 
 
 Surface and Volume Properties
  Accessible surface: 757.492  Positive charged surface: 469.514  Negative charged surface: 287.978  Volume: 421.5
  Hydrophobic surface: 582.591  Hydrophilic surface: 174.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.