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NCID-ZINC04696711

 MMsINC code: MMs02394211
Type: Neutral
Formula: C38H30O
SMILES:   OC(C(c1ccc(cc1)-c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccccc1)c1ccc
cc1
InChI:   InChI=1/C38H30O/c39-37(33-17-9-3-10-18-33)38(34-19-11-4-12-20-34,35-25-21-31(22-26-35)29-13-5-1-6-14-29)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28,37,39H/t37-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=275.741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 502.657 g/mol  logS: -11.1229  SlogP: 9.1841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260745  Sterimol/B1: 2.95545  Sterimol/B2: 2.9909  Sterimol/B3: 8.01141
  Sterimol/B4: 10.7143  Sterimol/L: 18.9444 
 
 Surface and Volume Properties
  Accessible surface: 785.725  Positive charged surface: 401.469  Negative charged surface: 367.078  Volume: 511.375
  Hydrophobic surface: 763.839  Hydrophilic surface: 21.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.