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PUBCHEM-ZINC02869920

 MMsINC code: MMs02948207
Type: Neutral
Formula: C29H16F2N2O4
SMILES:   Fc1cc(ccc1)C=1OC(=O)c2cc(ccc2N=1)Cc1cc2c(N=C(OC2=O)c2cc(F)cc
c2)cc1
InChI:   InChI=1/C29H16F2N2O4/c30-20-5-1-3-18(14-20)26-32-24-9-7-16(12-22(24)28(34)36-26)11-17-8-10-25-23(13-17)29(35)37-27(33-25)19-4-2-6-21(31)15-19/h1-10,12-15H,11H2

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Potential Energy
Epot(MMFF94)=118.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.453 g/mol  logS: -10.3518  SlogP: 6.05297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781307  Sterimol/B1: 2.2509  Sterimol/B2: 3.6323  Sterimol/B3: 5.65523
  Sterimol/B4: 8.07385  Sterimol/L: 22.0307 
 
 Surface and Volume Properties
  Accessible surface: 761.007  Positive charged surface: 376.877  Negative charged surface: 384.13  Volume: 429.375
  Hydrophobic surface: 621.83  Hydrophilic surface: 139.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.