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ENAMINE-ZINC03464534

 MMsINC code: MMs01458888
Type: Neutral
Formula: C20H25F2N3O4
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(=O)NC2CCCCC2C)C1=O)C
InChI:   InChI=1/C20H25F2N3O4/c1-12-5-3-4-6-15(12)23-16(26)11-25-17(27)20(2,24-19(25)28)13-7-9-14(10-8-13)29-18(21)22/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,23,26)(H,24,28)/t12-,15-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.433 g/mol  logS: -4.10933  SlogP: 3.4813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119703  Sterimol/B1: 2.11792  Sterimol/B2: 5.4629  Sterimol/B3: 6.53728
  Sterimol/B4: 6.73168  Sterimol/L: 14.8921 
 
 Surface and Volume Properties
  Accessible surface: 654.949  Positive charged surface: 409.586  Negative charged surface: 245.363  Volume: 367.375
  Hydrophobic surface: 416.618  Hydrophilic surface: 238.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.