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AURORAFEINCHEMIE-ZINC03957179

 MMsINC code: MMs00458862
Type: Neutral
Formula: C30H27O2P
SMILES:   P1(=O)(CC(C(=O)c2ccccc2)C(CC1c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C30H27O2P/c31-30(25-17-9-3-10-18-25)28-22-33(32,26-19-11-4-12-20-26)29(24-15-7-2-8-16-24)21-27(28)23-13-5-1-6-14-23/h1-20,27-29H,21-22H2/t27-,28+,29-,33-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.59 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.518 g/mol  logS: -6.60429  SlogP: 6.1282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177049  Sterimol/B1: 2.42182  Sterimol/B2: 3.63657  Sterimol/B3: 5.00078
  Sterimol/B4: 9.36608  Sterimol/L: 15.2329 
 
 Surface and Volume Properties
  Accessible surface: 699.333  Positive charged surface: 390.417  Negative charged surface: 308.917  Volume: 447.25
  Hydrophobic surface: 664.261  Hydrophilic surface: 35.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.