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CHEMBRIDGE-ZINC04649218

MMsINC code: MMs00774285

Type: Neutral
Formula: C15H12ClNO4
SMILES:   Clc1cc(C(O)=O)c(NC(=O)COc2ccccc2)cc1
InChI:   InChI=1/C15H12ClNO4/c16-10-6-7-13(12(8-10)15(19)20)17-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=76.9921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.717 g/mol  logS: -4.13538  SlogP: 3.0557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117508  Sterimol/B1: 2.59144  Sterimol/B2: 2.64617  Sterimol/B3: 4.74859
  Sterimol/B4: 5.00183  Sterimol/L: 17.353 
 
 Surface and Volume Properties
  Accessible surface: 532.619  Positive charged surface: 266.57  Negative charged surface: 266.049  Volume: 266
  Hydrophobic surface: 401.245  Hydrophilic surface: 131.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00774286
CHEMBRIDGE-ZINC04649218