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ENAMINE-ZINC03613938

 MMsINC code: MMs01524794
Type: Neutral
Formula: C18H17ClFN3O4
SMILES:   Clc1ccccc1C(=O)NC(C(=O)NNC(=O)COc1ccccc1F)C
InChI:   InChI=1/C18H17ClFN3O4/c1-11(21-18(26)12-6-2-3-7-13(12)19)17(25)23-22-16(24)10-27-15-9-5-4-8-14(15)20/h2-9,11H,10H2,1H3,(H,21,26)(H,22,24)(H,23,25)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.802 g/mol  logS: -5.18927  SlogP: 1.8238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0133861  Sterimol/B1: 2.12956  Sterimol/B2: 2.41311  Sterimol/B3: 4.77266
  Sterimol/B4: 6.81503  Sterimol/L: 21.6891 
 
 Surface and Volume Properties
  Accessible surface: 660.415  Positive charged surface: 332.113  Negative charged surface: 328.302  Volume: 340
  Hydrophobic surface: 506.386  Hydrophilic surface: 154.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.