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PUBCHEM-ZINC05051338

 MMsINC code: MMs03194213
Type: Neutral
Formula: C23H21FN2O3
SMILES:   Fc1ccc(NC(=O)CN2C(=O)C3C4CC(C3C2=O)CC4c2ccccc2)cc1
InChI:   InChI=1/C23H21FN2O3/c24-15-6-8-16(9-7-15)25-19(27)12-26-22(28)20-14-10-17(13-4-2-1-3-5-13)18(11-14)21(20)23(26)29/h1-9,14,17-18,20-21H,10-12H2,(H,25,27)/t14-,17-,18-,20+,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.43 g/mol  logS: -5.4958  SlogP: 3.189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091678  Sterimol/B1: 2.55703  Sterimol/B2: 3.42149  Sterimol/B3: 4.73756
  Sterimol/B4: 8.19306  Sterimol/L: 17.0043 
 
 Surface and Volume Properties
  Accessible surface: 617.946  Positive charged surface: 362.814  Negative charged surface: 255.132  Volume: 360.125
  Hydrophobic surface: 519.81  Hydrophilic surface: 98.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.