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ENAMINE-ZINC03398510

 MMsINC code: MMs01418552
Type: Neutral
Formula: C18H19Cl2NO3
SMILES:   Clc1cc(Cl)ccc1COc1ccccc1C(=O)NCCCOC
InChI:   InChI=1/C18H19Cl2NO3/c1-23-10-4-9-21-18(22)15-5-2-3-6-17(15)24-12-13-7-8-14(19)11-16(13)20/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.26 g/mol  logS: -5.16228  SlogP: 4.6051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0100845  Sterimol/B1: 2.37634  Sterimol/B2: 2.38353  Sterimol/B3: 5.64366
  Sterimol/B4: 8.50833  Sterimol/L: 18.6439 
 
 Surface and Volume Properties
  Accessible surface: 636.872  Positive charged surface: 360.175  Negative charged surface: 276.697  Volume: 337
  Hydrophobic surface: 595.776  Hydrophilic surface: 41.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.