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AURORAFEINCHEMIE-ZINC05501216

 MMsINC code: MMs00475933
Type: Neutral
Formula: C23H20FN3O3
SMILES:   Fc1ccccc1N1C(=O)C2C(C3N(CCC3)C23c2c(NC3=O)c(ccc2)C)C1=O
InChI:   InChI=1/C23H20FN3O3/c1-12-6-4-7-13-19(12)25-22(30)23(13)18-17(16-10-5-11-26(16)23)20(28)27(21(18)29)15-9-3-2-8-14(15)24/h2-4,6-9,16-18H,5,10-11H2,1H3,(H,25,30)/t16-,17+,18-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=175.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.429 g/mol  logS: -4.70348  SlogP: 2.87682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183415  Sterimol/B1: 3.39816  Sterimol/B2: 4.21139  Sterimol/B3: 4.68029
  Sterimol/B4: 7.14384  Sterimol/L: 14.5469 
 
 Surface and Volume Properties
  Accessible surface: 571.532  Positive charged surface: 327.525  Negative charged surface: 244.008  Volume: 354.875
  Hydrophobic surface: 467.005  Hydrophilic surface: 104.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.