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PUBCHEM-ZINC06883691

 MMsINC code: MMs03887894
Type: Neutral
Formula: C18H11ClFN3O5
SMILES:   Clc1ccc(cc1\N=C\C=1C(=O)NC(=O)N(C=1O)c1ccc(F)cc1)C(O)=O
InChI:   InChI=1/C18H11ClFN3O5/c19-13-6-1-9(17(26)27)7-14(13)21-8-12-15(24)22-18(28)23(16(12)25)11-4-2-10(20)3-5-11/h1-8,25H,(H,26,27)(H,22,24,28)/b21-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.753 g/mol  logS: -5.05365  SlogP: 3.4056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477251  Sterimol/B1: 2.68525  Sterimol/B2: 4.7164  Sterimol/B3: 4.88794
  Sterimol/B4: 5.4488  Sterimol/L: 17.001 
 
 Surface and Volume Properties
  Accessible surface: 603.699  Positive charged surface: 296.033  Negative charged surface: 307.666  Volume: 323.875
  Hydrophobic surface: 362.903  Hydrophilic surface: 240.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03887895
PUBCHEM-ZINC06883691