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IBS-ZINC04696939

 MMsINC code: MMs01888954
Type: Neutral
Formula: C25H33FN2O3
SMILES:   Fc1ccccc1C(=O)N(NC(=O)C(O)(CCCCC)CCCCC)c1ccccc1
InChI:   InChI=1/C25H33FN2O3/c1-3-5-12-18-25(31,19-13-6-4-2)24(30)27-28(20-14-8-7-9-15-20)23(29)21-16-10-11-17-22(21)26/h7-11,14-17,31H,3-6,12-13,18-19H2,1-2H3,(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.548 g/mol  logS: -7.77509  SlogP: 5.3954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705818  Sterimol/B1: 2.36237  Sterimol/B2: 2.93239  Sterimol/B3: 4.14666
  Sterimol/B4: 12.6545  Sterimol/L: 16.4907 
 
 Surface and Volume Properties
  Accessible surface: 733.34  Positive charged surface: 470.371  Negative charged surface: 262.97  Volume: 433.5
  Hydrophobic surface: 615.995  Hydrophilic surface: 117.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.