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CHEMDIV-ZINC04760406

 MMsINC code: MMs00948271
Type: Neutral
Formula: C31H27FN2O5
SMILES:   Fc1ccccc1C1N(C)C(=O)c2c(cc(OC)c(OC)c2)C1C(=O)Nc1ccc(Oc2ccccc
2)cc1
InChI:   InChI=1/C31H27FN2O5/c1-34-29(22-11-7-8-12-25(22)32)28(23-17-26(37-2)27(38-3)18-24(23)31(34)36)30(35)33-19-13-15-21(16-14-19)39-20-9-5-4-6-10-20/h4-18,28-29H,1-3H3,(H,33,35)/t28-,29-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=253.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 526.564 g/mol  logS: -7.42623  SlogP: 6.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138663  Sterimol/B1: 2.58833  Sterimol/B2: 4.97425  Sterimol/B3: 6.87646
  Sterimol/B4: 9.36945  Sterimol/L: 18.6922 
 
 Surface and Volume Properties
  Accessible surface: 788.249  Positive charged surface: 513.926  Negative charged surface: 274.323  Volume: 483.375
  Hydrophobic surface: 729.375  Hydrophilic surface: 58.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.