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CHEMDIV-ZINC02714637

 MMsINC code: MMs00885376
Type: Neutral
Formula: C24H16ClFN4
SMILES:   Clc1cc(-n2cc(c3c2ncnc3Nc2cc(F)ccc2)-c2ccccc2)ccc1
InChI:   InChI=1/C24H16ClFN4/c25-17-8-4-11-20(12-17)30-14-21(16-6-2-1-3-7-16)22-23(27-15-28-24(22)30)29-19-10-5-9-18(26)13-19/h1-15H,(H,27,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.871 g/mol  logS: -8.9198  SlogP: 6.6236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568124  Sterimol/B1: 2.32087  Sterimol/B2: 3.18013  Sterimol/B3: 4.18435
  Sterimol/B4: 10.093  Sterimol/L: 17.1994 
 
 Surface and Volume Properties
  Accessible surface: 655.546  Positive charged surface: 330.636  Negative charged surface: 320.622  Volume: 375.75
  Hydrophobic surface: 599.039  Hydrophilic surface: 56.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.