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PUBCHEM-ZINC04157752

 MMsINC code: MMs03094772
Type: Neutral
Formula: C30H26FN3O2
SMILES:   Fc1ccc(NC(=O)CC(c2ccccc2C)c2n3c(nc2)C(OCc2ccccc2)=CC=C3)cc1
InChI:   InChI=1/C30H26FN3O2/c1-21-8-5-6-11-25(21)26(18-29(35)33-24-15-13-23(31)14-16-24)27-19-32-30-28(12-7-17-34(27)30)36-20-22-9-3-2-4-10-22/h2-17,19,26H,18,20H2,1H3,(H,33,35)/t26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.555 g/mol  logS: -6.94769  SlogP: 6.79972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08303  Sterimol/B1: 2.22  Sterimol/B2: 4.88247  Sterimol/B3: 5.99109
  Sterimol/B4: 6.71586  Sterimol/L: 22.8476 
 
 Surface and Volume Properties
  Accessible surface: 802.914  Positive charged surface: 454.188  Negative charged surface: 348.726  Volume: 462.25
  Hydrophobic surface: 750.03  Hydrophilic surface: 52.884
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.