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NCID-ZINC01672313

 MMsINC code: MMs02308381
Type: Neutral
Formula: C10H9ClO2
SMILES:   Clc1ccc(cc1)C1CC1C(O)=O
InChI:   InChI=1/C10H9ClO2/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.6607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.633 g/mol  logS: -2.13169  SlogP: 2.5281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887203  Sterimol/B1: 2.43825  Sterimol/B2: 2.89969  Sterimol/B3: 3.37351
  Sterimol/B4: 4.88509  Sterimol/L: 13.2613 
 
 Surface and Volume Properties
  Accessible surface: 386.548  Positive charged surface: 174.802  Negative charged surface: 211.746  Volume: 177.25
  Hydrophobic surface: 268.137  Hydrophilic surface: 118.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02308382
NCID-ZINC01672313