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ASINEX-ZINC00625645

 MMsINC code: MMs00142369
Type: Neutral
Formula: C29H18N2O4
SMILES:   O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)Cc1ccc(N2C(=O)c3c(cccc3)C2=O)
cc1
InChI:   InChI=1/C29H18N2O4/c32-26-22-5-1-2-6-23(22)27(33)30(26)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-28(34)24-7-3-4-8-25(24)29(31)35/h1-16H,17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.664 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.473 g/mol  logS: -8.24868  SlogP: 4.87857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733575  Sterimol/B1: 2.09888  Sterimol/B2: 3.30967  Sterimol/B3: 4.68632
  Sterimol/B4: 8.0363  Sterimol/L: 21.2471 
 
 Surface and Volume Properties
  Accessible surface: 730.713  Positive charged surface: 373.31  Negative charged surface: 357.403  Volume: 418.875
  Hydrophobic surface: 591.138  Hydrophilic surface: 139.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.