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OAKWOOD-ZINC02568594

 MMsINC code: MMs02546319
Type: Neutral
Formula: C12H10ClFN2O3
SMILES:   Clc1cc(OCc2oc(cc2)C(=O)NN)ccc1F
InChI:   InChI=1/C12H10ClFN2O3/c13-9-5-7(1-3-10(9)14)18-6-8-2-4-11(19-8)12(17)16-15/h1-5H,6,15H2,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.3441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.674 g/mol  logS: -4.36897  SlogP: 2.521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721681  Sterimol/B1: 2.45539  Sterimol/B2: 3.59991  Sterimol/B3: 5.05937
  Sterimol/B4: 6.09924  Sterimol/L: 15.8002 
 
 Surface and Volume Properties
  Accessible surface: 499.036  Positive charged surface: 244.098  Negative charged surface: 254.938  Volume: 234.125
  Hydrophobic surface: 342.61  Hydrophilic surface: 156.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.