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ENAMINE-ZINC03613467

 MMsINC code: MMs01524666
Type: Neutral
Formula: C22H27FN2O3
SMILES:   Fc1ccc(cc1)CCNC(=O)C(NC(=O)c1ccccc1OCC)C(C)C
InChI:   InChI=1/C22H27FN2O3/c1-4-28-19-8-6-5-7-18(19)21(26)25-20(15(2)3)22(27)24-14-13-16-9-11-17(23)12-10-16/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.0267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.467 g/mol  logS: -4.93627  SlogP: 3.33767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829687  Sterimol/B1: 2.33463  Sterimol/B2: 2.6468  Sterimol/B3: 7.04234
  Sterimol/B4: 7.70635  Sterimol/L: 20.2726 
 
 Surface and Volume Properties
  Accessible surface: 698.493  Positive charged surface: 439.545  Negative charged surface: 258.948  Volume: 379
  Hydrophobic surface: 583.79  Hydrophilic surface: 114.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.