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CHEMDIV-ZINC03670136

 MMsINC code: MMs00916417
Type: Neutral
Formula: C24H22FN3O3
SMILES:   Fc1ccc(cc1)CNC(=O)C1(O)N(c2ccc(cc2)CC)C(=O)Nc2c1cccc2
InChI:   InChI=1/C24H22FN3O3/c1-2-16-9-13-19(14-10-16)28-23(30)27-21-6-4-3-5-20(21)24(28,31)22(29)26-15-17-7-11-18(25)12-8-17/h3-14,31H,2,15H2,1H3,(H,26,29)(H,27,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.456 g/mol  logS: -6.34647  SlogP: 4.47957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161537  Sterimol/B1: 3.12072  Sterimol/B2: 5.44149  Sterimol/B3: 5.77311
  Sterimol/B4: 7.31087  Sterimol/L: 15.6508 
 
 Surface and Volume Properties
  Accessible surface: 665.631  Positive charged surface: 367.729  Negative charged surface: 297.902  Volume: 389.625
  Hydrophobic surface: 528.475  Hydrophilic surface: 137.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.