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PUBCHEM-ZINC06529573

 MMsINC code: MMs03785140
Type: Neutral
Formula: C23H21FN2O4
SMILES:   Fc1ccccc1C(NC(OCc1ccccc1)=O)NC(OCc1ccccc1)=O
InChI:   InChI=1/C23H21FN2O4/c24-20-14-8-7-13-19(20)21(25-22(27)29-15-17-9-3-1-4-10-17)26-23(28)30-16-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=9.41948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.429 g/mol  logS: -5.56873  SlogP: 5.3054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438625  Sterimol/B1: 2.11584  Sterimol/B2: 3.08132  Sterimol/B3: 4.51872
  Sterimol/B4: 11.255  Sterimol/L: 19.362 
 
 Surface and Volume Properties
  Accessible surface: 728.17  Positive charged surface: 409.506  Negative charged surface: 318.664  Volume: 382.375
  Hydrophobic surface: 622.35  Hydrophilic surface: 105.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.