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CHEMBRIDGE-ZINC02858465

 MMsINC code: MMs00727931
Type: Neutral
Formula: C26H20N2O3
SMILES:   OC1(c2c(N(Cc3c4c(ccc3)cccc4)C1=O)cccc2)CC(=O)c1ncccc1
InChI:   InChI=1/C26H20N2O3/c29-24(22-13-5-6-15-27-22)16-26(31)21-12-3-4-14-23(21)28(25(26)30)17-19-10-7-9-18-8-1-2-11-20(18)19/h1-15,31H,16-17H2/t26-/m1/s1

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Potential Energy
Epot(MMFF94)=127.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.457 g/mol  logS: -5.92257  SlogP: 4.8201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149238  Sterimol/B1: 3.00069  Sterimol/B2: 3.81239  Sterimol/B3: 4.34565
  Sterimol/B4: 9.53579  Sterimol/L: 16.2406 
 
 Surface and Volume Properties
  Accessible surface: 663.089  Positive charged surface: 367.161  Negative charged surface: 285.103  Volume: 390.125
  Hydrophobic surface: 575.121  Hydrophilic surface: 87.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.