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ASINEX-ZINC04848303

 MMsINC code: MMs00378689
Type: Neutral
Formula: C20H23FN4O4
SMILES:   Fc1cc(N(C(=O)CCC(=O)Nc2ncccc2)CC(=O)NCCOC)ccc1
InChI:   InChI=1/C20H23FN4O4/c1-29-12-11-23-19(27)14-25(16-6-4-5-15(21)13-16)20(28)9-8-18(26)24-17-7-2-3-10-22-17/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,23,27)(H,22,24,26)

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Potential Energy
Epot(MMFF94)=85.6279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.426 g/mol  logS: -2.90456  SlogP: 1.7352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412305  Sterimol/B1: 3.64839  Sterimol/B2: 3.69224  Sterimol/B3: 4.00279
  Sterimol/B4: 7.85155  Sterimol/L: 21.6037 
 
 Surface and Volume Properties
  Accessible surface: 718.198  Positive charged surface: 506.818  Negative charged surface: 211.38  Volume: 373.625
  Hydrophobic surface: 582.18  Hydrophilic surface: 136.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.