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PUBCHEM-ZINC02127809

 MMsINC code: MMs02874264
Type: Neutral
Formula: C15H11ClO3
SMILES:   Clc1ccc(cc1)-c1ccc(cc1)CC(=O)C(O)=O
InChI:   InChI=1/C15H11ClO3/c16-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)15(18)19/h1-8H,9H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.703 g/mol  logS: -4.90777  SlogP: 3.20317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387461  Sterimol/B1: 2.36479  Sterimol/B2: 2.42795  Sterimol/B3: 4.0415
  Sterimol/B4: 4.82703  Sterimol/L: 17.2937 
 
 Surface and Volume Properties
  Accessible surface: 490.977  Positive charged surface: 212.397  Negative charged surface: 267.509  Volume: 244.75
  Hydrophobic surface: 354.557  Hydrophilic surface: 136.42
 
 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


MMs02874265
PUBCHEM-ZINC02127809