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PUBCHEM-ZINC05445189

 MMsINC code: MMs03271557
Type: Neutral
Formula: C21H21FN2O3
SMILES:   Fc1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)C1C(=O)c1ccccc1
InChI:   InChI=1/C21H21FN2O3/c1-23(2)12-13-24-18(14-8-10-16(22)11-9-14)17(20(26)21(24)27)19(25)15-6-4-3-5-7-15/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)=95.0504 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: 0.112689  Sterimol/B1: 2.14847  Sterimol/B2: 4.32992  Sterimol/B3: 5.27724
  Sterimol/B4: 6.68741  Sterimol/L: 16.9574 
 
 Surface and Volume Properties
  Accessible surface: 601.636  Positive charged surface: 356.63  Negative charged surface: 245.006  Volume: 345.625
  Hydrophobic surface: 500.988  Hydrophilic surface: 100.648
 
 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


MMs03271558
PUBCHEM-ZINC05445189