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PUBCHEM-ZINC02055719

 MMsINC code: MMs02867071
Type: Neutral
Formula: C24H25ClN2O3
SMILES:   Clc1cc(ccc1C)-c1oc(cc1)\C=N\NC(=O)COc1cc(ccc1C)C(C)C
InChI:   InChI=1/C24H25ClN2O3/c1-15(2)18-7-6-17(4)23(12-18)29-14-24(28)27-26-13-20-9-10-22(30-20)19-8-5-16(3)21(25)11-19/h5-13,15H,14H2,1-4H3,(H,27,28)/b26-13+

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Potential Energy
Epot(MMFF94)=119.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.928 g/mol  logS: -8.32131  SlogP: 5.86934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0102508  Sterimol/B1: 2.28306  Sterimol/B2: 3.62139  Sterimol/B3: 3.62617
  Sterimol/B4: 9.46634  Sterimol/L: 22.9511 
 
 Surface and Volume Properties
  Accessible surface: 775.408  Positive charged surface: 456.026  Negative charged surface: 319.382  Volume: 414.25
  Hydrophobic surface: 637.448  Hydrophilic surface: 137.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.