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AURORAFEINCHEMIE-ZINC03956864

 MMsINC code: MMs00458598
Type: Neutral
Formula: C28H26NOP
SMILES:   P1(C(N(C)C(OC1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H26NOP/c1-29-26(22-14-6-2-7-15-22)30-28(24-18-10-4-11-19-24)31(25-20-12-5-13-21-25)27(29)23-16-8-3-9-17-23/h2-21,26-28H,1H3/t26-,27+,28-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.496 g/mol  logS: -6.21086  SlogP: 7.1387  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.409429  Sterimol/B1: 4.05176  Sterimol/B2: 6.4203  Sterimol/B3: 6.58505
  Sterimol/B4: 6.83875  Sterimol/L: 14.3559 
 
 Surface and Volume Properties
  Accessible surface: 660.532  Positive charged surface: 395.088  Negative charged surface: 265.444  Volume: 427.875
  Hydrophobic surface: 645.519  Hydrophilic surface: 15.013
 
 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.