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NCID-ZINC01593928

 MMsINC code: MMs02248304
Type: Neutral
Formula: C32H26O
SMILES:   O(C(C)c1c2c(cc3c1cccc3)cccc2)C(C)c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C32H26O/c1-21(31-27-15-7-3-11-23(27)19-24-12-4-8-16-28(24)31)33-22(2)32-29-17-9-5-13-25(29)20-26-14-6-10-18-30(26)32/h3-22H,1-2H3/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.559 g/mol  logS: -11.4349  SlogP: 9.3292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10837  Sterimol/B1: 2.02405  Sterimol/B2: 4.11531  Sterimol/B3: 6.07972
  Sterimol/B4: 7.63581  Sterimol/L: 16.6834 
 
 Surface and Volume Properties
  Accessible surface: 665.691  Positive charged surface: 353.604  Negative charged surface: 278.578  Volume: 439.25
  Hydrophobic surface: 626.027  Hydrophilic surface: 39.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.