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PUBCHEM-ZINC02069691

 MMsINC code: MMs02869098
Type: Neutral
Formula: C18H20ClNO6
SMILES:   Clc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)c(OC)cc1OC
InChI:   InChI=1/C18H20ClNO6/c1-22-13-8-17(26-5)16(25-4)6-10(13)18(21)20-12-7-11(19)14(23-2)9-15(12)24-3/h6-9H,1-5H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.812 g/mol  logS: -4.34106  SlogP: 3.6353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278245  Sterimol/B1: 2.5096  Sterimol/B2: 2.74465  Sterimol/B3: 3.96482
  Sterimol/B4: 9.57992  Sterimol/L: 18.4604 
 
 Surface and Volume Properties
  Accessible surface: 638.567  Positive charged surface: 495.307  Negative charged surface: 143.26  Volume: 341.375
  Hydrophobic surface: 580.885  Hydrophilic surface: 57.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.