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AURORAFEINCHEMIE-ZINC06779341

 MMsINC code: MMs00481289
Type: Neutral
Formula: C25H26N2O2
SMILES:   O=C(NC(C(C)C)C(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26N2O2/c1-18(2)23(27-24(28)20-13-7-4-8-14-20)25(29)26-22-16-10-9-15-21(22)17-19-11-5-3-6-12-19/h3-16,18,23H,17H2,1-2H3,(H,26,29)(H,27,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -6.06112  SlogP: 4.67047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0654495  Sterimol/B1: 2.43674  Sterimol/B2: 3.75706  Sterimol/B3: 4.48434
  Sterimol/B4: 8.57853  Sterimol/L: 18.8238 
 
 Surface and Volume Properties
  Accessible surface: 675.532  Positive charged surface: 379.495  Negative charged surface: 296.037  Volume: 395.625
  Hydrophobic surface: 595.194  Hydrophilic surface: 80.338
 
 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.