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CHEMDIV-ZINC03657263

 MMsINC code: MMs00915249
Type: Neutral
Formula: C22H25FN2O3
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)NC(C)C
InChI:   InChI=1/C22H25FN2O3/c1-14(2)24-21(26)19-17-6-4-5-7-18(17)22(27)25(12-13-28-3)20(19)15-8-10-16(23)11-9-15/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,26)/t19-,20+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.4706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.451 g/mol  logS: -4.51596  SlogP: 3.3729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260621  Sterimol/B1: 4.65178  Sterimol/B2: 4.76673  Sterimol/B3: 5.76732
  Sterimol/B4: 6.39451  Sterimol/L: 15.0186 
 
 Surface and Volume Properties
  Accessible surface: 627.054  Positive charged surface: 427.704  Negative charged surface: 199.35  Volume: 370
  Hydrophobic surface: 542.766  Hydrophilic surface: 84.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.