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ENAMINE-ZINC03340346

 MMsINC code: MMs01382749
Type: Neutral
Formula: C19H19F2N3O3
SMILES:   Fc1cc(NC(=O)CNC(=O)CC(NC(=O)C)c2ccccc2)ccc1F
InChI:   InChI=1/C19H19F2N3O3/c1-12(25)23-17(13-5-3-2-4-6-13)10-18(26)22-11-19(27)24-14-7-8-15(20)16(21)9-14/h2-9,17H,10-11H2,1H3,(H,22,26)(H,23,25)(H,24,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.375 g/mol  logS: -4.17925  SlogP: 2.3825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050518  Sterimol/B1: 2.24262  Sterimol/B2: 2.75355  Sterimol/B3: 4.73478
  Sterimol/B4: 8.38571  Sterimol/L: 19.1122 
 
 Surface and Volume Properties
  Accessible surface: 645.045  Positive charged surface: 369.333  Negative charged surface: 275.712  Volume: 338.125
  Hydrophobic surface: 517.094  Hydrophilic surface: 127.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.