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ENAMINE-ZINC03461350

 MMsINC code: MMs01457299
Type: Neutral
Formula: C21H22FN3O3
SMILES:   Fc1ccc(cc1)C(NC(=O)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C)C
InChI:   InChI=1/C21H22FN3O3/c1-13-4-8-16(9-5-13)21(3)19(27)25(20(28)24-21)12-18(26)23-14(2)15-6-10-17(22)11-7-15/h4-11,14H,12H2,1-3H3,(H,23,26)(H,24,28)/t14-,21+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.423 g/mol  logS: -5.16618  SlogP: 3.18552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725648  Sterimol/B1: 2.21819  Sterimol/B2: 3.79213  Sterimol/B3: 3.91852
  Sterimol/B4: 8.67492  Sterimol/L: 18.2555 
 
 Surface and Volume Properties
  Accessible surface: 646.85  Positive charged surface: 368.596  Negative charged surface: 278.254  Volume: 362.5
  Hydrophobic surface: 497.493  Hydrophilic surface: 149.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.