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ENAMINE-ZINC03306245

 MMsINC code: MMs01361308
Type: Neutral
Formula: C28H22FNO4
SMILES:   Fc1ccc(-n2c(C)c(cc2C)C(=O)COC(=O)Cc2c3c4c(ccc3oc2)cccc4)cc1
InChI:   InChI=1/C28H22FNO4/c1-17-13-24(18(2)30(17)22-10-8-21(29)9-11-22)25(31)16-34-27(32)14-20-15-33-26-12-7-19-5-3-4-6-23(19)28(20)26/h3-13,15H,14,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.485 g/mol  logS: -8.33339  SlogP: 6.10121  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0655352  Sterimol/B1: 2.20224  Sterimol/B2: 5.40487  Sterimol/B3: 6.03613
  Sterimol/B4: 7.07676  Sterimol/L: 21.474 
 
 Surface and Volume Properties
  Accessible surface: 746.883  Positive charged surface: 396.317  Negative charged surface: 336.915  Volume: 427.25
  Hydrophobic surface: 667.556  Hydrophilic surface: 79.327
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.