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IBS-ZINC02396719

 MMsINC code: MMs01850503
Type: Neutral
Formula: C25H19FN2O3
SMILES:   Fc1cc2c([nH]c(C(O)=O)c2NC(=O)C2CC2(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C25H19FN2O3/c26-17-11-12-20-18(13-17)21(22(27-20)24(30)31)28-23(29)19-14-25(19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19,27H,14H2,(H,28,29)(H,30,31)/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=111.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.436 g/mol  logS: -5.74765  SlogP: 4.9499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110725  Sterimol/B1: 2.5308  Sterimol/B2: 3.45669  Sterimol/B3: 4.5334
  Sterimol/B4: 9.58957  Sterimol/L: 15.9221 
 
 Surface and Volume Properties
  Accessible surface: 639.56  Positive charged surface: 353.54  Negative charged surface: 280.71  Volume: 380.625
  Hydrophobic surface: 481.752  Hydrophilic surface: 157.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01850504
IBS-ZINC02396719