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CHEMSTAR-ZINC04144730

 MMsINC code: MMs01108603
Type: Neutral
Formula: C32H28N2O3
SMILES:   O(C)c1cc(ccc1OC)-c1nc2c(cccc2)c(c1)C(=O)N(Cc1ccccc1)Cc1ccccc
1
InChI:   InChI=1/C32H28N2O3/c1-36-30-18-17-25(19-31(30)37-2)29-20-27(26-15-9-10-16-28(26)33-29)32(35)34(21-23-11-5-3-6-12-23)22-24-13-7-4-8-14-24/h3-20H,21-22H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.587 g/mol  logS: -8.0453  SlogP: 7.2944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233111  Sterimol/B1: 3.5842  Sterimol/B2: 4.36216  Sterimol/B3: 6.06958
  Sterimol/B4: 11.3536  Sterimol/L: 15.3709 
 
 Surface and Volume Properties
  Accessible surface: 801.579  Positive charged surface: 498.576  Negative charged surface: 294.341  Volume: 486.875
  Hydrophobic surface: 741.423  Hydrophilic surface: 60.156
 
 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.