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ENAMINE-ZINC04871164

 MMsINC code: MMs01560932
Type: Neutral
Formula: C19H12ClF2NO4
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)c1ccc(F)cc1)=O
InChI:   InChI=1/C19H12ClF2NO4/c1-10-16(18(23-27-10)17-13(20)3-2-4-14(17)22)19(25)26-9-15(24)11-5-7-12(21)8-6-11/h2-8H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.2867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.757 g/mol  logS: -6.54503  SlogP: 4.62132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1104  Sterimol/B1: 2.24085  Sterimol/B2: 3.77158  Sterimol/B3: 4.49684
  Sterimol/B4: 10.3097  Sterimol/L: 15.5636 
 
 Surface and Volume Properties
  Accessible surface: 617.271  Positive charged surface: 260.208  Negative charged surface: 357.063  Volume: 324.75
  Hydrophobic surface: 536.212  Hydrophilic surface: 81.059
 
 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.