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CHEMDIV-ZINC04315096

 MMsINC code: MMs00933553
Type: Neutral
Formula: C19H17ClFN3O2
SMILES:   Clc1ccc(NC(=O)CN2C(=O)C(=NC2(C)C)c2ccc(F)cc2)cc1
InChI:   InChI=1/C19H17ClFN3O2/c1-19(2)23-17(12-3-7-14(21)8-4-12)18(26)24(19)11-16(25)22-15-9-5-13(20)6-10-15/h3-10H,11H2,1-2H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.6414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.815 g/mol  logS: -5.73606  SlogP: 3.4852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844453  Sterimol/B1: 2.31612  Sterimol/B2: 3.66418  Sterimol/B3: 5.52531
  Sterimol/B4: 6.45817  Sterimol/L: 18.0954 
 
 Surface and Volume Properties
  Accessible surface: 620.274  Positive charged surface: 310.019  Negative charged surface: 310.255  Volume: 336.375
  Hydrophobic surface: 515.541  Hydrophilic surface: 104.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.