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ASINEX-ZINC00310157

MMsINC code: MMs00115899

Type: Neutral
Formula: C17H11ClO4
SMILES:   Clc1ccccc1C(Oc1cc2OC(=O)C=C(c2cc1)C)=O
InChI:   InChI=1/C17H11ClO4/c1-10-8-16(19)22-15-9-11(6-7-12(10)15)21-17(20)13-4-2-3-5-14(13)18/h2-9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=96.7127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.724 g/mol  logS: -5.94975  SlogP: 3.8815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485311  Sterimol/B1: 2.80787  Sterimol/B2: 3.8803  Sterimol/B3: 3.94238
  Sterimol/B4: 6.25096  Sterimol/L: 16.4753 
 
 Surface and Volume Properties
  Accessible surface: 527.823  Positive charged surface: 252.98  Negative charged surface: 274.844  Volume: 273.5
  Hydrophobic surface: 438.251  Hydrophilic surface: 89.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.