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PUBCHEM-ZINC03757136

 MMsINC code: MMs03071698
Type: Neutral
Formula: C18H14ClNO3
SMILES:   Clc1cc2c(nc(cc2C(O)=O)-c2cc(ccc2OC)C)cc1
InChI:   InChI=1/C18H14ClNO3/c1-10-3-6-17(23-2)14(7-10)16-9-13(18(21)22)12-8-11(19)4-5-15(12)20-16/h3-9H,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.767 g/mol  logS: -5.59659  SlogP: 4.57042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00769313  Sterimol/B1: 2.3967  Sterimol/B2: 2.51351  Sterimol/B3: 3.88149
  Sterimol/B4: 8.1871  Sterimol/L: 15.5571 
 
 Surface and Volume Properties
  Accessible surface: 547.153  Positive charged surface: 293.842  Negative charged surface: 242.409  Volume: 295.5
  Hydrophobic surface: 440.033  Hydrophilic surface: 107.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03071699
PUBCHEM-ZINC03757136