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CHEMSTAR-ZINC03143028

 MMsINC code: MMs01083895
Type: Neutral
Formula: C29H18N2O6
SMILES:   Oc1cc(ccc1N1C(=O)c2c(cccc2)C1=O)Cc1cc(O)c(N2C(=O)c3c(cccc3)C
2=O)cc1
InChI:   InChI=1/C29H18N2O6/c32-24-14-16(9-11-22(24)30-26(34)18-5-1-2-6-19(18)27(30)35)13-17-10-12-23(25(33)15-17)31-28(36)20-7-3-4-8-21(20)29(31)37/h1-12,14-15,32-33H,13H2

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Potential Energy
Epot(MMFF94)=164.133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.471 g/mol  logS: -7.52478  SlogP: 4.28977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400822  Sterimol/B1: 3.59416  Sterimol/B2: 3.9707  Sterimol/B3: 4.25114
  Sterimol/B4: 7.4726  Sterimol/L: 22.6714 
 
 Surface and Volume Properties
  Accessible surface: 762.798  Positive charged surface: 395.96  Negative charged surface: 366.838  Volume: 438
  Hydrophobic surface: 540.022  Hydrophilic surface: 222.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.