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CHEMBRIDGE-ZINC01057090

 MMsINC code: MMs00655174
Type: Neutral
Formula: C24H24ClFN4O4
SMILES:   Clc1cc(C2=NOC(C2)C(=O)Nc2c(n(nc2C)Cc2ccc(F)cc2)C)c(OC)cc1OC
InChI:   InChI=1/C24H24ClFN4O4/c1-13-23(14(2)30(28-13)12-15-5-7-16(26)8-6-15)27-24(31)22-10-19(29-34-22)17-9-18(25)21(33-4)11-20(17)32-3/h5-9,11,22H,10,12H2,1-4H3,(H,27,31)/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=147.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.931 g/mol  logS: -5.79929  SlogP: 4.75604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0248928  Sterimol/B1: 2.03457  Sterimol/B2: 3.23224  Sterimol/B3: 4.23331
  Sterimol/B4: 9.74986  Sterimol/L: 21.8565 
 
 Surface and Volume Properties
  Accessible surface: 772.076  Positive charged surface: 473.206  Negative charged surface: 298.87  Volume: 440
  Hydrophobic surface: 658.034  Hydrophilic surface: 114.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.