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CHEMBRIDGE-ZINC00459136

 MMsINC code: MMs00622303
Type: Neutral
Formula: C18H18ClNO4
SMILES:   Clc1ccc(N\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChI:   InChI=1/C18H18ClNO4/c1-22-16-10-12(11-17(23-2)18(16)24-3)15(21)8-9-20-14-6-4-13(19)5-7-14/h4-11,20H,1-3H3/b9-8+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.798 g/mol  logS: -4.43859  SlogP: 4.1743  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0118096  Sterimol/B1: 2.12829  Sterimol/B2: 2.47248  Sterimol/B3: 3.12894
  Sterimol/B4: 9.37752  Sterimol/L: 19.5861 
 
 Surface and Volume Properties
  Accessible surface: 623.403  Positive charged surface: 389.25  Negative charged surface: 234.152  Volume: 322.125
  Hydrophobic surface: 549.259  Hydrophilic surface: 74.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00622304
CHEMBRIDGE-ZINC00459136