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NCID-ZINC05124417

 MMsINC code: MMs02443587
Type: Neutral
Formula: C34H29NO2
SMILES:   O(C(c1ccccc1)c1ccccc1)C(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C34H29NO2/c36-32(37-33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-35-34(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,33,35H,26H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=184.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 483.611 g/mol  logS: -8.60515  SlogP: 7.3079  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.19534  Sterimol/B1: 3.81722  Sterimol/B2: 5.08182  Sterimol/B3: 5.79581
  Sterimol/B4: 9.26213  Sterimol/L: 17.0951 
 
 Surface and Volume Properties
  Accessible surface: 816.405  Positive charged surface: 445.979  Negative charged surface: 370.426  Volume: 495.875
  Hydrophobic surface: 785.703  Hydrophilic surface: 30.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.