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CHEMBRIDGE-ZINC00858505

 MMsINC code: MMs00644847
Type: Neutral
Formula: C16H15Cl2NO3
SMILES:   Clc1cc(ccc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC
InChI:   InChI=1/C16H15Cl2NO3/c1-9-4-5-10(6-11(9)17)16(20)19-13-8-14(21-2)12(18)7-15(13)22-3/h4-8H,1-3H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.1464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.206 g/mol  logS: -5.08468  SlogP: 4.57132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.024402  Sterimol/B1: 2.76611  Sterimol/B2: 3.19045  Sterimol/B3: 5.94028
  Sterimol/B4: 6.08015  Sterimol/L: 16.3971 
 
 Surface and Volume Properties
  Accessible surface: 571.982  Positive charged surface: 326.339  Negative charged surface: 245.644  Volume: 296
  Hydrophobic surface: 530.554  Hydrophilic surface: 41.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.