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PUBCHEM-ZINC04327376

 MMsINC code: MMs03113919
Type: Neutral
Formula: C21H21FN2O3
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(CCN(C)C)C(=O)C1=O)c1ccccc1
InChI:   InChI=1/C21H21FN2O3/c1-23(2)12-13-24-18(14-6-4-3-5-7-14)17(20(26)21(24)27)19(25)15-8-10-16(22)11-9-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.408 g/mol  logS: -3.95381  SlogP: 2.4343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16656  Sterimol/B1: 2.36997  Sterimol/B2: 4.38947  Sterimol/B3: 5.97618
  Sterimol/B4: 6.42881  Sterimol/L: 15.7163 
 
 Surface and Volume Properties
  Accessible surface: 589.308  Positive charged surface: 374.385  Negative charged surface: 214.923  Volume: 350.875
  Hydrophobic surface: 488.495  Hydrophilic surface: 100.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03113920
PUBCHEM-ZINC04327376