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MAYBRIDGE-ZINC01032330

 MMsINC code: MMs02149767
Type: Neutral
Formula: C18H14Cl2FN3O2
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NNc1ccc(Cl)cc1C
InChI:   InChI=1/C18H14Cl2FN3O2/c1-9-8-11(19)6-7-14(9)22-23-18(25)15-10(2)26-24-17(15)16-12(20)4-3-5-13(16)21/h3-8,22H,1-2H3,(H,23,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.233 g/mol  logS: -6.33111  SlogP: 5.16124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2129  Sterimol/B1: 1.969  Sterimol/B2: 5.91263  Sterimol/B3: 6.57775
  Sterimol/B4: 6.78756  Sterimol/L: 14.103 
 
 Surface and Volume Properties
  Accessible surface: 618.212  Positive charged surface: 254.086  Negative charged surface: 364.126  Volume: 332
  Hydrophobic surface: 565.372  Hydrophilic surface: 52.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.