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ENAMINE-ZINC03613855

 MMsINC code: MMs01524782
Type: Neutral
Formula: C15H14ClNO4
SMILES:   Clc1cc(NC(=O)COc2ccccc2O)ccc1OC
InChI:   InChI=1/C15H14ClNO4/c1-20-13-7-6-10(8-11(13)16)17-15(19)9-21-14-5-3-2-4-12(14)18/h2-8,18H,9H2,1H3,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.7249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.733 g/mol  logS: -3.85441  SlogP: 3.0717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017149  Sterimol/B1: 2.53317  Sterimol/B2: 2.97321  Sterimol/B3: 3.50033
  Sterimol/B4: 6.07158  Sterimol/L: 18.1101 
 
 Surface and Volume Properties
  Accessible surface: 553.459  Positive charged surface: 326.38  Negative charged surface: 227.078  Volume: 272.875
  Hydrophobic surface: 444.408  Hydrophilic surface: 109.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.