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ENAMINE-ZINC03464521

 MMsINC code: MMs01458881
Type: Neutral
Formula: C17H21F2N3O4
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(=O)NCC(C)C)C1=O)C
InChI:   InChI=1/C17H21F2N3O4/c1-10(2)8-20-13(23)9-22-14(24)17(3,21-16(22)25)11-4-6-12(7-5-11)26-15(18)19/h4-7,10,15H,8-9H2,1-3H3,(H,20,23)(H,21,25)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.368 g/mol  logS: -3.16717  SlogP: 2.5586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698405  Sterimol/B1: 3.78595  Sterimol/B2: 3.88624  Sterimol/B3: 3.98861
  Sterimol/B4: 7.642  Sterimol/L: 15.5639 
 
 Surface and Volume Properties
  Accessible surface: 610.231  Positive charged surface: 369.89  Negative charged surface: 240.342  Volume: 327.375
  Hydrophobic surface: 343.837  Hydrophilic surface: 266.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.