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ASINEX-ZINC00678438

 MMsINC code: MMs00148529
Type: Neutral
Formula: C19H14ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(OCC(=O)c1ccccc1)=O
InChI:   InChI=1/C19H14ClNO4/c1-12-17(18(21-25-12)14-9-5-6-10-15(14)20)19(23)24-11-16(22)13-7-3-2-4-8-13/h2-10H,11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.5273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.777 g/mol  logS: -5.95507  SlogP: 4.34312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10789  Sterimol/B1: 2.24716  Sterimol/B2: 3.72028  Sterimol/B3: 4.47726
  Sterimol/B4: 10.3003  Sterimol/L: 15.3871 
 
 Surface and Volume Properties
  Accessible surface: 604.707  Positive charged surface: 275.752  Negative charged surface: 328.955  Volume: 319
  Hydrophobic surface: 520.99  Hydrophilic surface: 83.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.