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IBS-ZINC00499539

 MMsINC code: MMs01740525
Type: Neutral
Formula: C18H14ClNO4
SMILES:   Clc1ccc(cc1)-c1c(onc1C)-c1ccc2OCCOc2c1O
InChI:   InChI=1/C18H14ClNO4/c1-10-15(11-2-4-12(19)5-3-11)17(24-20-10)13-6-7-14-18(16(13)21)23-9-8-22-14/h2-7,21H,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=123.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.766 g/mol  logS: -5.78812  SlogP: 4.44722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574177  Sterimol/B1: 2.79917  Sterimol/B2: 3.41461  Sterimol/B3: 3.44818
  Sterimol/B4: 9.00801  Sterimol/L: 13.9238 
 
 Surface and Volume Properties
  Accessible surface: 554.61  Positive charged surface: 322.402  Negative charged surface: 232.208  Volume: 300.125
  Hydrophobic surface: 467.494  Hydrophilic surface: 87.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.