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PUBCHEM-ZINC02755141

 MMsINC code: MMs02917480
Type: Neutral
Formula: C18H14ClNO2
SMILES:   Clc1ccc(cc1)-c1nc2c(cccc2C)c(C(O)=O)c1C
InChI:   InChI=1/C18H14ClNO2/c1-10-4-3-5-14-15(18(21)22)11(2)17(20-16(10)14)12-6-8-13(19)9-7-12/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)=96.4901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.768 g/mol  logS: -5.39323  SlogP: 4.87024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394073  Sterimol/B1: 2.18455  Sterimol/B2: 2.54123  Sterimol/B3: 3.47538
  Sterimol/B4: 9.26956  Sterimol/L: 15.3812 
 
 Surface and Volume Properties
  Accessible surface: 523.091  Positive charged surface: 241.817  Negative charged surface: 273.021  Volume: 285.125
  Hydrophobic surface: 426.532  Hydrophilic surface: 96.559
 
 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


MMs02917481
PUBCHEM-ZINC02755141