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ENAMINE-ZINC03497234

 MMsINC code: MMs01474439
Type: Neutral
Formula: C19H16ClNO4
SMILES:   Clc1ccccc1OCCOC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C19H16ClNO4/c1-13-17(18(21-25-13)14-7-3-2-4-8-14)19(22)24-12-11-23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.793 g/mol  logS: -5.70054  SlogP: 4.53922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07464  Sterimol/B1: 2.44178  Sterimol/B2: 3.41346  Sterimol/B3: 4.01011
  Sterimol/B4: 9.54778  Sterimol/L: 16.7645 
 
 Surface and Volume Properties
  Accessible surface: 608.28  Positive charged surface: 297.885  Negative charged surface: 310.395  Volume: 325.125
  Hydrophobic surface: 549.612  Hydrophilic surface: 58.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.