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NCID-ZINC01689893

 MMsINC code: MMs02322290
Type: Neutral
Formula: C18H11ClO3
SMILES:   Clc1ccc(cc1)C(=O)c1ccc2c(cccc2)c1C(O)=O
InChI:   InChI=1/C18H11ClO3/c19-13-8-5-12(6-9-13)17(20)15-10-7-11-3-1-2-4-14(11)16(15)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)=80.5639 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: 0.147161  Sterimol/B1: 3.78681  Sterimol/B2: 4.4291  Sterimol/B3: 4.6772
  Sterimol/B4: 5.04072  Sterimol/L: 15.0195 
 
 Surface and Volume Properties
  Accessible surface: 512.386  Positive charged surface: 218.825  Negative charged surface: 283.865  Volume: 276.375
  Hydrophobic surface: 412.635  Hydrophilic surface: 99.751
 
 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


MMs02322291
NCID-ZINC01689893