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ENAMINE-ZINC03385808

 MMsINC code: MMs01410417
Type: Neutral
Formula: C18H17Cl2NO5
SMILES:   Clc1cc(Cl)ccc1CNC(=O)COC(=O)c1ccc(OC)cc1OC
InChI:   InChI=1/C18H17Cl2NO5/c1-24-13-5-6-14(16(8-13)25-2)18(23)26-10-17(22)21-9-11-3-4-12(19)7-15(11)20/h3-8H,9-10H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.242 g/mol  logS: -5.27642  SlogP: 3.7502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260274  Sterimol/B1: 1.969  Sterimol/B2: 3.66613  Sterimol/B3: 4.52839
  Sterimol/B4: 8.4876  Sterimol/L: 21.1796 
 
 Surface and Volume Properties
  Accessible surface: 668.642  Positive charged surface: 392.301  Negative charged surface: 276.341  Volume: 342.625
  Hydrophobic surface: 568.945  Hydrophilic surface: 99.697
 
 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.