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CHEMBLOCK-ZINC04451150

 MMsINC code: MMs00551325
Type: Neutral
Formula: C22H24N2O3
SMILES:   O1C(\C(=N/Nc2ccccc2)\c2ccccc2)C(C)(C)C(=O)C(C)(C)C1=O
InChI:   InChI=1/C22H24N2O3/c1-21(2)18(27-20(26)22(3,4)19(21)25)17(15-11-7-5-8-12-15)24-23-16-13-9-6-10-14-16/h5-14,18,23H,1-4H3/b24-17+/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=147.933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.445 g/mol  logS: -4.76499  SlogP: 4.0497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103516  Sterimol/B1: 3.03528  Sterimol/B2: 4.06416  Sterimol/B3: 4.92089
  Sterimol/B4: 8.98153  Sterimol/L: 15.6571 
 
 Surface and Volume Properties
  Accessible surface: 604.232  Positive charged surface: 334.657  Negative charged surface: 269.575  Volume: 358.25
  Hydrophobic surface: 477.37  Hydrophilic surface: 126.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.