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CHEMDIV-ZINC04906102

 MMsINC code: MMs00963065
Type: Neutral
Formula: C23H15FN4O3
SMILES:   Fc1cc(N2C(=O)c3c(N(CC=4N=C5N(C=CC=C5)C(=O)C=4)C2=O)cccc3)ccc
1
InChI:   InChI=1/C23H15FN4O3/c24-15-6-5-7-17(12-15)28-22(30)18-8-1-2-9-19(18)27(23(28)31)14-16-13-21(29)26-11-4-3-10-20(26)25-16/h1-13H,14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.396 g/mol  logS: -6.04086  SlogP: 3.6206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147154  Sterimol/B1: 2.44872  Sterimol/B2: 3.17588  Sterimol/B3: 5.02421
  Sterimol/B4: 9.87906  Sterimol/L: 16.0261 
 
 Surface and Volume Properties
  Accessible surface: 630.928  Positive charged surface: 327.112  Negative charged surface: 303.816  Volume: 362.5
  Hydrophobic surface: 517.125  Hydrophilic surface: 113.803
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.