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IBS-ZINC01469033

 MMsINC code: MMs01769962
Type: Neutral
Formula: C17H11Cl2FN4O
SMILES:   Clc1cc(ccc1Cl)-c1n[nH]c(c1)C(=O)N\N=C\c1ccc(F)cc1
InChI:   InChI=1/C17H11Cl2FN4O/c18-13-6-3-11(7-14(13)19)15-8-16(23-22-15)17(25)24-21-9-10-1-4-12(20)5-2-10/h1-9H,(H,22,23)(H,24,25)/b21-9+

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Potential Energy
Epot(MMFF94)=81.0513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.206 g/mol  logS: -6.28585  SlogP: 4.2865  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.45474e-07  Sterimol/B1: 2.09874  Sterimol/B2: 2.1011  Sterimol/B3: 2.57012
  Sterimol/B4: 6.24302  Sterimol/L: 21.5792 
 
 Surface and Volume Properties
  Accessible surface: 606.063  Positive charged surface: 251.861  Negative charged surface: 354.203  Volume: 316.375
  Hydrophobic surface: 468.683  Hydrophilic surface: 137.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.