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ENAMINE-ZINC04871156

 MMsINC code: MMs01560924
Type: Neutral
Formula: C18H13ClFNO6
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(OCc1oc(cc1)C(OC)=O)=O
InChI:   InChI=1/C18H13ClFNO6/c1-9-14(16(21-27-9)15-11(19)4-3-5-12(15)20)18(23)25-8-10-6-7-13(26-10)17(22)24-2/h3-7H,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.754 g/mol  logS: -6.20492  SlogP: 4.44552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112612  Sterimol/B1: 2.03202  Sterimol/B2: 4.22995  Sterimol/B3: 4.69324
  Sterimol/B4: 9.93168  Sterimol/L: 14.7845 
 
 Surface and Volume Properties
  Accessible surface: 646.981  Positive charged surface: 328.847  Negative charged surface: 318.134  Volume: 325.625
  Hydrophobic surface: 538.271  Hydrophilic surface: 108.71
 
 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.