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ENAMINE-ZINC03181832

 MMsINC code: MMs01297907
Type: Neutral
Formula: C17H13F2NO4
SMILES:   FC1(F)C(N(C1=O)c1cc2OCOc2cc1)c1ccc(OC)cc1
InChI:   InChI=1/C17H13F2NO4/c1-22-12-5-2-10(3-6-12)15-17(18,19)16(21)20(15)11-4-7-13-14(8-11)24-9-23-13/h2-8,15H,9H2,1H3/t15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.29 g/mol  logS: -4.10654  SlogP: 3.6625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141124  Sterimol/B1: 2.18925  Sterimol/B2: 2.83654  Sterimol/B3: 4.92781
  Sterimol/B4: 8.43203  Sterimol/L: 14.7888 
 
 Surface and Volume Properties
  Accessible surface: 532.694  Positive charged surface: 297.829  Negative charged surface: 222.878  Volume: 281.875
  Hydrophobic surface: 361.829  Hydrophilic surface: 170.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.