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ENAMINE-ZINC03330565

 MMsINC code: MMs01376404
Type: Neutral
Formula: C19H20ClNO5
SMILES:   Clc1cc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)ccc1OC
InChI:   InChI=1/C19H20ClNO5/c1-12(2)26-15-7-4-13(5-8-15)19(23)25-11-18(22)21-14-6-9-17(24-3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.824 g/mol  logS: -5.25251  SlogP: 3.9313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185728  Sterimol/B1: 2.61283  Sterimol/B2: 3.4416  Sterimol/B3: 4.06734
  Sterimol/B4: 7.09893  Sterimol/L: 20.2785 
 
 Surface and Volume Properties
  Accessible surface: 670.832  Positive charged surface: 406.583  Negative charged surface: 264.249  Volume: 345
  Hydrophobic surface: 533.791  Hydrophilic surface: 137.041
 
 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: no related molecules available.