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PUBCHEM-ZINC03215329

 MMsINC code: MMs03008205
Type: Neutral
Formula: C30H23F3N2O3
SMILES:   FC(F)(F)c1ccc(cc1)-c1ccccc1C(OCC(=O)Nc1cc2c3c(n(c2cc1)CC)ccc
c3)=O
InChI:   InChI=1/C30H23F3N2O3/c1-2-35-26-10-6-5-8-23(26)25-17-21(15-16-27(25)35)34-28(36)18-38-29(37)24-9-4-3-7-22(24)19-11-13-20(14-12-19)30(31,32)33/h3-17H,2,18H2,1H3,(H,34,36)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 516.519 g/mol  logS: -9.60377  SlogP: 7.8736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0214745  Sterimol/B1: 3.21583  Sterimol/B2: 3.60579  Sterimol/B3: 3.64747
  Sterimol/B4: 8.62721  Sterimol/L: 21.5559 
 
 Surface and Volume Properties
  Accessible surface: 816.428  Positive charged surface: 415.093  Negative charged surface: 386.331  Volume: 465.375
  Hydrophobic surface: 626.939  Hydrophilic surface: 189.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.