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CHEMDIV-ZINC00256999

 MMsINC code: MMs00846810
Type: Neutral
Formula: C18H14ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(OC)cc1)=O
InChI:   InChI=1/C18H14ClNO4/c1-11-16(17(20-24-11)14-5-3-4-6-15(14)19)18(21)23-13-9-7-12(22-2)8-10-13/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.766 g/mol  logS: -5.63853  SlogP: 4.53122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549392  Sterimol/B1: 2.29828  Sterimol/B2: 2.9467  Sterimol/B3: 4.44257
  Sterimol/B4: 10.0479  Sterimol/L: 15.6467 
 
 Surface and Volume Properties
  Accessible surface: 567.514  Positive charged surface: 290.288  Negative charged surface: 277.226  Volume: 307
  Hydrophobic surface: 509.696  Hydrophilic surface: 57.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.