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PUBCHEM-ZINC06583784

 MMsINC code: MMs03808994
Type: Neutral
Formula: C18H11ClO3
SMILES:   Clc1c2c(cccc2)c(cc1)C(=O)c1ccccc1C(O)=O
InChI:   InChI=1/C18H11ClO3/c19-16-10-9-14(11-5-1-2-6-12(11)16)17(20)13-7-3-4-8-15(13)18(21)22/h1-10H,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.4221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.736 g/mol  logS: -6.03926  SlogP: 4.4224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175548  Sterimol/B1: 2.49175  Sterimol/B2: 4.25734  Sterimol/B3: 4.91135
  Sterimol/B4: 7.22468  Sterimol/L: 14.3238 
 
 Surface and Volume Properties
  Accessible surface: 497.248  Positive charged surface: 229.364  Negative charged surface: 259.304  Volume: 277.25
  Hydrophobic surface: 402.788  Hydrophilic surface: 94.46
 
 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


MMs03808995
PUBCHEM-ZINC06583784