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CHEMDIV-ZINC06942252

 MMsINC code: MMs01066544
Type: Neutral
Formula: C18H15Cl2N3O
SMILES:   Clc1ccc(cc1)-c1n[nH]c(c1)C(=O)NCCc1ccc(Cl)cc1
InChI:   InChI=1/C18H15Cl2N3O/c19-14-5-1-12(2-6-14)9-10-21-18(24)17-11-16(22-23-17)13-3-7-15(20)8-4-13/h1-8,11H,9-10H2,(H,21,24)(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.244 g/mol  logS: -5.8131  SlogP: 4.35597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0253102  Sterimol/B1: 2.42006  Sterimol/B2: 3.4905  Sterimol/B3: 4.12859
  Sterimol/B4: 4.81841  Sterimol/L: 22.5529 
 
 Surface and Volume Properties
  Accessible surface: 618.214  Positive charged surface: 277.701  Negative charged surface: 340.513  Volume: 321.75
  Hydrophobic surface: 509.583  Hydrophilic surface: 108.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.