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PUBCHEM-ZINC04186188

 MMsINC code: MMs03097167
Type: Neutral
Formula: C27H24FN5O3
SMILES:   Fc1ccc(cc1)-c1nn(c(c1)C(=O)N1CCN(CC1)c1ccc([N+](=O)[O-])cc1)
-c1cc(ccc1)C
InChI:   InChI=1/C27H24FN5O3/c1-19-3-2-4-24(17-19)32-26(18-25(29-32)20-5-7-21(28)8-6-20)27(34)31-15-13-30(14-16-31)22-9-11-23(12-10-22)33(35)36/h2-12,17-18H,13-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.519 g/mol  logS: -7.55675  SlogP: 4.85742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105631  Sterimol/B1: 2.04819  Sterimol/B2: 2.84214  Sterimol/B3: 7.08418
  Sterimol/B4: 12.4756  Sterimol/L: 18.0548 
 
 Surface and Volume Properties
  Accessible surface: 765.46  Positive charged surface: 411.707  Negative charged surface: 353.753  Volume: 442.75
  Hydrophobic surface: 637.406  Hydrophilic surface: 128.054
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.