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AURORAFEINCHEMIE-ZINC06778593

 MMsINC code: MMs00481180
Type: Neutral
Formula: C26H28N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NC(c1ccccc1)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C26H28N2O2/c1-18(2)23(27-25(29)22-16-14-19(3)15-17-22)26(30)28-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,23-24H,1-3H3,(H,27,29)(H,28,30)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.522 g/mol  logS: -6.44405  SlogP: 4.75072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088457  Sterimol/B1: 3.30087  Sterimol/B2: 4.72046  Sterimol/B3: 5.34272
  Sterimol/B4: 7.4497  Sterimol/L: 19.3338 
 
 Surface and Volume Properties
  Accessible surface: 716.977  Positive charged surface: 414.47  Negative charged surface: 302.507  Volume: 415.5
  Hydrophobic surface: 639.021  Hydrophilic surface: 77.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.