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OTAVA-ZINC00953530

 MMsINC code: MMs02557932
Type: Neutral
Formula: C24H20F3NO4
SMILES:   FC(F)(F)c1cc(NC(=O)c2ccc(OC(C(OCc3ccccc3)=O)C)cc2)ccc1
InChI:   InChI=1/C24H20F3NO4/c1-16(23(30)31-15-17-6-3-2-4-7-17)32-21-12-10-18(11-13-21)22(29)28-20-9-5-8-19(14-20)24(25,26)27/h2-14,16H,15H2,1H3,(H,28,29)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.421 g/mol  logS: -6.96508  SlogP: 6.0463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240724  Sterimol/B1: 2.01725  Sterimol/B2: 2.98325  Sterimol/B3: 5.2519
  Sterimol/B4: 6.01361  Sterimol/L: 23.9842 
 
 Surface and Volume Properties
  Accessible surface: 738.229  Positive charged surface: 356.642  Negative charged surface: 381.587  Volume: 393.5
  Hydrophobic surface: 534.851  Hydrophilic surface: 203.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.