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ENAMINE-ZINC03480059

 MMsINC code: MMs01465602
Type: Neutral
Formula: C18H20ClNO4
SMILES:   Clc1ccc(cc1)CNC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C18H20ClNO4/c1-22-15-8-13(9-16(23-2)18(15)24-3)10-17(21)20-11-12-4-6-14(19)7-5-12/h4-9H,10-11H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.814 g/mol  logS: -4.24581  SlogP: 3.49107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289483  Sterimol/B1: 2.35054  Sterimol/B2: 2.99969  Sterimol/B3: 3.26902
  Sterimol/B4: 9.50845  Sterimol/L: 19.7092 
 
 Surface and Volume Properties
  Accessible surface: 635.109  Positive charged surface: 442.431  Negative charged surface: 192.678  Volume: 328.75
  Hydrophobic surface: 567.896  Hydrophilic surface: 67.213
 
 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.