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CHEMBRIDGE-ZINC00145329

 MMsINC code: MMs00591575
Type: Neutral
Formula: C17H18ClNO4
SMILES:   Clc1cc(NC(=O)COc2ccccc2OCC)ccc1OC
InChI:   InChI=1/C17H18ClNO4/c1-3-22-15-6-4-5-7-16(15)23-11-17(20)19-12-8-9-14(21-2)13(18)10-12/h4-10H,3,11H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=108.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.787 g/mol  logS: -4.59395  SlogP: 3.7648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163582  Sterimol/B1: 2.1771  Sterimol/B2: 3.06803  Sterimol/B3: 3.23443
  Sterimol/B4: 8.89099  Sterimol/L: 17.6311 
 
 Surface and Volume Properties
  Accessible surface: 614.646  Positive charged surface: 382.8  Negative charged surface: 231.846  Volume: 309.875
  Hydrophobic surface: 524.585  Hydrophilic surface: 90.061
 
 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.