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CHEMBLOCK-ZINC04571374

 MMsINC code: MMs00557329
Type: Neutral
Formula: C19H20ClFN4O2
SMILES:   Clc1cc(NC(=O)NC(=O)c2ccccc2F)ccc1N1CCN(CC1)C
InChI:   InChI=1/C19H20ClFN4O2/c1-24-8-10-25(11-9-24)17-7-6-13(12-15(17)20)22-19(27)23-18(26)14-4-2-3-5-16(14)21/h2-7,12H,8-11H2,1H3,(H2,22,23,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.846 g/mol  logS: -4.58681  SlogP: 3.1928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235181  Sterimol/B1: 3.26262  Sterimol/B2: 3.34483  Sterimol/B3: 3.81232
  Sterimol/B4: 6.13342  Sterimol/L: 21.1042 
 
 Surface and Volume Properties
  Accessible surface: 640.718  Positive charged surface: 408.04  Negative charged surface: 232.678  Volume: 347
  Hydrophobic surface: 538.518  Hydrophilic surface: 102.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00557330
CHEMBLOCK-ZINC04571374