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PUBCHEM-ZINC04702496

 MMsINC code: MMs03160507
Type: Neutral
Formula: C23H23ClN2O2
SMILES:   Clc1cc(ccc1C)-c1oc(cc1)\C=N\NC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C23H23ClN2O2/c1-15-5-6-17(13-20(15)24)21-12-11-19(28-21)14-25-26-22(27)16-7-9-18(10-8-16)23(2,3)4/h5-14H,1-4H3,(H,26,27)/b25-14+

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Potential Energy
Epot(MMFF94)=120.275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.902 g/mol  logS: -8.59924  SlogP: 5.96982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.010769  Sterimol/B1: 2.41013  Sterimol/B2: 3.62203  Sterimol/B3: 3.62671
  Sterimol/B4: 7.87199  Sterimol/L: 22.3169 
 
 Surface and Volume Properties
  Accessible surface: 710.152  Positive charged surface: 388.033  Negative charged surface: 322.119  Volume: 388.875
  Hydrophobic surface: 572.51  Hydrophilic surface: 137.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.