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NCID-ZINC01626400

 MMsINC code: MMs02272932
Type: Neutral
Formula: C19H13ClO3
SMILES:   Clc1cc(C)c(cc1)C(=O)c1ccc2c(cccc2)c1C(O)=O
InChI:   InChI=1/C19H13ClO3/c1-11-10-13(20)7-9-14(11)18(21)16-8-6-12-4-2-3-5-15(12)17(16)19(22)23/h2-10H,1H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.6387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.763 g/mol  logS: -6.51318  SlogP: 4.73082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12049  Sterimol/B1: 2.33309  Sterimol/B2: 4.3857  Sterimol/B3: 5.71586
  Sterimol/B4: 6.0448  Sterimol/L: 15.9156 
 
 Surface and Volume Properties
  Accessible surface: 532.777  Positive charged surface: 234.132  Negative charged surface: 287.735  Volume: 292.375
  Hydrophobic surface: 436.122  Hydrophilic surface: 96.655
 
 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


MMs02272933
NCID-ZINC01626400