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CHEMBRIDGE-ZINC00998440

 MMsINC code: MMs00651307
Type: Neutral
Formula: C23H18N4O5
SMILES:   O1c2cc(ccc2OC1)-c1nc2c(cccc2)c(c1)C(=O)NC=1N(C)C(=O)N(C)C(=O
)C=1
InChI:   InChI=1/C23H18N4O5/c1-26-20(11-21(28)27(2)23(26)30)25-22(29)15-10-17(24-16-6-4-3-5-14(15)16)13-7-8-18-19(9-13)32-12-31-18/h3-11H,12H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.2504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.42 g/mol  logS: -5.43512  SlogP: 2.7255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419951  Sterimol/B1: 2.35194  Sterimol/B2: 5.73069  Sterimol/B3: 5.90172
  Sterimol/B4: 7.27577  Sterimol/L: 19.2075 
 
 Surface and Volume Properties
  Accessible surface: 667.626  Positive charged surface: 417.156  Negative charged surface: 239.375  Volume: 378.5
  Hydrophobic surface: 493.467  Hydrophilic surface: 174.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.