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PUBCHEM-ZINC00401329

 MMsINC code: MMs02675764
Type: Neutral
Formula: C10H10ClNO4
SMILES:   Clc1cc(ccc1)C(=O)NC(C(O)=O)CO
InChI:   InChI=1/C10H10ClNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.646 g/mol  logS: -2.0586  SlogP: 0.5153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913855  Sterimol/B1: 2.63422  Sterimol/B2: 2.91035  Sterimol/B3: 4.2158
  Sterimol/B4: 5.90502  Sterimol/L: 12.8888 
 
 Surface and Volume Properties
  Accessible surface: 434.879  Positive charged surface: 217.281  Negative charged surface: 217.597  Volume: 206.875
  Hydrophobic surface: 266.3  Hydrophilic surface: 168.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02675765
PUBCHEM-ZINC00401329