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CHEMSTAR-ZINC04132415

 MMsINC code: MMs01108284
Type: Neutral
Formula: C25H24N2O4
SMILES:   o1cccc1\C=C\C(Oc1ccc(cc1)\C=N/NC(=O)c1ccc(cc1)C(C)(C)C)=O
InChI:   InChI=1/C25H24N2O4/c1-25(2,3)20-10-8-19(9-11-20)24(29)27-26-17-18-6-12-22(13-7-18)31-23(28)15-14-21-5-4-16-30-21/h4-17H,1-3H3,(H,27,29)/b15-14+,26-17-

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Potential Energy
Epot(MMFF94)=165.596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -7.92918  SlogP: 4.9598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484686  Sterimol/B1: 2.49787  Sterimol/B2: 2.80631  Sterimol/B3: 4.66072
  Sterimol/B4: 10.8099  Sterimol/L: 19.1508 
 
 Surface and Volume Properties
  Accessible surface: 737.928  Positive charged surface: 404.409  Negative charged surface: 333.519  Volume: 407.5
  Hydrophobic surface: 561.02  Hydrophilic surface: 176.908
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.