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ASINEX-ZINC00855953

 MMsINC code: MMs00195002
Type: Neutral
Formula: C27H14N4O5
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(=O)c1cc2c(cc1)C(=O)N(C2=O)c1ccncc1)c
1ccncc1
InChI:   InChI=1/C27H14N4O5/c32-23(15-1-3-19-21(13-15)26(35)30(24(19)33)17-5-9-28-10-6-17)16-2-4-20-22(14-16)27(36)31(25(20)34)18-7-11-29-12-8-18/h1-14H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.432 g/mol  logS: -5.68883  SlogP: 3.3088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255542  Sterimol/B1: 2.33533  Sterimol/B2: 3.06813  Sterimol/B3: 3.89733
  Sterimol/B4: 10.0627  Sterimol/L: 19.2416 
 
 Surface and Volume Properties
  Accessible surface: 694.826  Positive charged surface: 412.998  Negative charged surface: 281.828  Volume: 410.25
  Hydrophobic surface: 495.336  Hydrophilic surface: 199.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.