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NCID-ZINC04403392

 MMsINC code: MMs02384740
Type: Neutral
Formula: C37H28O
SMILES:   OC(c1ccc(cc1)-c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccc
cc1
InChI:   InChI=1/C37H28O/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27,38H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=207.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.63 g/mol  logS: -11.9708  SlogP: 9.2833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179073  Sterimol/B1: 3.28834  Sterimol/B2: 4.77336  Sterimol/B3: 6.04559
  Sterimol/B4: 13.229  Sterimol/L: 18.441 
 
 Surface and Volume Properties
  Accessible surface: 798.419  Positive charged surface: 384.876  Negative charged surface: 385.475  Volume: 502.5
  Hydrophobic surface: 777.323  Hydrophilic surface: 21.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.