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NCID-ZINC05159204

 MMsINC code: MMs02444915
Type: Neutral
Formula: C23H19FN2O7
SMILES:   FC1C(OC(=O)c2ccccc2)C(OC1N1C=CC(=O)NC1=O)COC(=O)c1ccccc1
InChI:   InChI=1/C23H19FN2O7/c24-18-19(33-22(29)15-9-5-2-6-10-15)16(13-31-21(28)14-7-3-1-4-8-14)32-20(18)26-12-11-17(27)25-23(26)30/h1-12,16,18-20H,13H2,(H,25,27,30)/t16-,18+,19+,20-/m1/s1

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Potential Energy
Epot(MMFF94)=90.5256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.41 g/mol  logS: -5.1551  SlogP: 2.6174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14561  Sterimol/B1: 4.22553  Sterimol/B2: 4.63466  Sterimol/B3: 5.8297
  Sterimol/B4: 9.1818  Sterimol/L: 16.983 
 
 Surface and Volume Properties
  Accessible surface: 716.445  Positive charged surface: 386.03  Negative charged surface: 330.416  Volume: 394.125
  Hydrophobic surface: 524.552  Hydrophilic surface: 191.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.