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NCID-ZINC01733727

 MMsINC code: MMs02356109
Type: Neutral
Formula: C15H13Cl4NO2
SMILES:   Clc1cc(Cl)cc(CN(Cc2cc(Cl)cc(Cl)c2O)C)c1O
InChI:   InChI=1/C15H13Cl4NO2/c1-20(6-8-2-10(16)4-12(18)14(8)21)7-9-3-11(17)5-13(19)15(9)22/h2-5,21-22H,6-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.086 g/mol  logS: -5.23749  SlogP: 5.8762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121721  Sterimol/B1: 3.06135  Sterimol/B2: 3.53317  Sterimol/B3: 3.82768
  Sterimol/B4: 6.63488  Sterimol/L: 14.2471 
 
 Surface and Volume Properties
  Accessible surface: 567.645  Positive charged surface: 226.523  Negative charged surface: 341.122  Volume: 305.875
  Hydrophobic surface: 493.741  Hydrophilic surface: 73.904
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02356110
NCID-ZINC01733727