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ENAMINE-ZINC03480247

 MMsINC code: MMs01465684
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1ccc(cc1)CNC(=O)CN1C(=O)C(NC1=O)CCc1ccccc1
InChI:   InChI=1/C20H20FN3O3/c21-16-9-6-15(7-10-16)12-22-18(25)13-24-19(26)17(23-20(24)27)11-8-14-4-2-1-3-5-14/h1-7,9-10,17H,8,11-13H2,(H,22,25)(H,23,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.1747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -4.30108  SlogP: 2.26147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349895  Sterimol/B1: 2.61964  Sterimol/B2: 3.40095  Sterimol/B3: 4.74822
  Sterimol/B4: 5.18926  Sterimol/L: 21.6076 
 
 Surface and Volume Properties
  Accessible surface: 661.972  Positive charged surface: 375.541  Negative charged surface: 286.431  Volume: 344
  Hydrophobic surface: 507.507  Hydrophilic surface: 154.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.