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AURORAFEINCHEMIE-ZINC03956865

 MMsINC code: MMs00458599
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+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=221.311 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: 0.298371  Sterimol/B1: 2.73821  Sterimol/B2: 6.16968  Sterimol/B3: 6.26496
  Sterimol/B4: 6.99682  Sterimol/L: 13.84 
 
 Surface and Volume Properties
  Accessible surface: 653.032  Positive charged surface: 396.466  Negative charged surface: 256.566  Volume: 419.75
  Hydrophobic surface: 637.795  Hydrophilic surface: 15.237
 
 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.