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CHEMSTAR-ZINC04065282

 MMsINC code: MMs01093714
Type: Neutral
Formula: C24H19ClFN5O2
SMILES:   Clc1nc(Oc2cc(ccc2)\C=N\NC(=O)c2cc(-n3c(ccc3C)C)ccc2)c(F)cn1
InChI:   InChI=1/C24H19ClFN5O2/c1-15-9-10-16(2)31(15)19-7-4-6-18(12-19)22(32)30-28-13-17-5-3-8-20(11-17)33-23-21(26)14-27-24(25)29-23/h3-14H,1-2H3,(H,30,32)/b28-13+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.9 g/mol  logS: -6.95386  SlogP: 5.23284  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.052775  Sterimol/B1: 2.2027  Sterimol/B2: 4.383  Sterimol/B3: 6.25944
  Sterimol/B4: 7.71474  Sterimol/L: 22.2685 
 
 Surface and Volume Properties
  Accessible surface: 770.776  Positive charged surface: 405.193  Negative charged surface: 365.583  Volume: 415.75
  Hydrophobic surface: 653.434  Hydrophilic surface: 117.342
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.