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ASINEX-ZINC00649114

 MMsINC code: MMs00145335
Type: Neutral
Formula: C22H18F2N4O2
SMILES:   FC(F)C=1n2ncc(c2N=C(C=1)c1ccc(cc1)C)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C22H18F2N4O2/c1-13-6-8-14(9-7-13)18-11-19(20(23)24)28-21(27-18)17(12-25-28)22(29)26-15-4-3-5-16(10-15)30-2/h3-12,20H,1-2H3,(H,26,29)

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Potential Energy
Epot(MMFF94)=113.149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.408 g/mol  logS: -5.99234  SlogP: 5.11272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208384  Sterimol/B1: 2.17124  Sterimol/B2: 2.75961  Sterimol/B3: 3.37574
  Sterimol/B4: 10.8697  Sterimol/L: 16.6972 
 
 Surface and Volume Properties
  Accessible surface: 677.038  Positive charged surface: 381.738  Negative charged surface: 295.3  Volume: 369.125
  Hydrophobic surface: 534.096  Hydrophilic surface: 142.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.