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NANOSIN-ZINC01862255

 MMsINC code: MMs02199212
Type: Neutral
Formula: C27H20N2O3
SMILES:   Oc1ccccc1\C=N\c1ccc(cc1)C(=O)c1ccc(\N=C\c2ccccc2O)cc1
InChI:   InChI=1/C27H20N2O3/c30-25-7-3-1-5-21(25)17-28-23-13-9-19(10-14-23)27(32)20-11-15-24(16-12-20)29-18-22-6-2-4-8-26(22)31/h1-18,30-31H/b28-17+,29-18+

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Potential Energy
Epot(MMFF94)=151.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.468 g/mol  logS: -6.58327  SlogP: 5.83  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371449  Sterimol/B1: 2.56875  Sterimol/B2: 2.98197  Sterimol/B3: 5.18169
  Sterimol/B4: 8.28722  Sterimol/L: 22.6929 
 
 Surface and Volume Properties
  Accessible surface: 734.829  Positive charged surface: 424.836  Negative charged surface: 309.993  Volume: 407.375
  Hydrophobic surface: 599.008  Hydrophilic surface: 135.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.