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ENAMINE-ZINC04514483

 MMsINC code: MMs01544656
Type: Neutral
Formula: C19H25FN4O5
SMILES:   Fc1ccc(cc1)C1(NC(=O)N(CC(=O)NC(=O)NCCCOCC)C1=O)CC
InChI:   InChI=1/C19H25FN4O5/c1-3-19(13-6-8-14(20)9-7-13)16(26)24(18(28)23-19)12-15(25)22-17(27)21-10-5-11-29-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,23,28)(H2,21,22,25,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.2143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.43 g/mol  logS: -3.69907  SlogP: 1.5467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299324  Sterimol/B1: 2.56236  Sterimol/B2: 3.96099  Sterimol/B3: 4.57745
  Sterimol/B4: 6.7132  Sterimol/L: 23.8551 
 
 Surface and Volume Properties
  Accessible surface: 703.323  Positive charged surface: 461.975  Negative charged surface: 241.348  Volume: 372.75
  Hydrophobic surface: 479.758  Hydrophilic surface: 223.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.