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AURORAFEINCHEMIE-ZINC02662966

 MMsINC code: MMs00455438
Type: Neutral
Formula: C21H25FN2O4
SMILES:   Fc1ccc(cc1)CNC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)C
InChI:   InChI=1/C21H25FN2O4/c1-13(2)19(21(26)23-12-14-5-7-16(22)8-6-14)24-20(25)15-9-17(27-3)11-18(10-15)28-4/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,25)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.4991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.439 g/mol  logS: -4.59797  SlogP: 3.1801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753208  Sterimol/B1: 2.3594  Sterimol/B2: 4.00064  Sterimol/B3: 4.77964
  Sterimol/B4: 7.94983  Sterimol/L: 20.3942 
 
 Surface and Volume Properties
  Accessible surface: 678.123  Positive charged surface: 445.875  Negative charged surface: 232.249  Volume: 372.125
  Hydrophobic surface: 556.689  Hydrophilic surface: 121.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.