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ENAMINE-ZINC03463728

 MMsINC code: MMs01458477
Type: Neutral
Formula: C14H14ClNO6
SMILES:   Clc1cc(NC(=O)COC(=O)C=2OCCOC=2)c(OC)cc1
InChI:   InChI=1/C14H14ClNO6/c1-19-11-3-2-9(15)6-10(11)16-13(17)8-22-14(18)12-7-20-4-5-21-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=92.0104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.72 g/mol  logS: -3.30849  SlogP: 1.7185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192914  Sterimol/B1: 2.5688  Sterimol/B2: 2.72026  Sterimol/B3: 3.49642
  Sterimol/B4: 8.24367  Sterimol/L: 16.8136 
 
 Surface and Volume Properties
  Accessible surface: 563.739  Positive charged surface: 354.799  Negative charged surface: 208.939  Volume: 276
  Hydrophobic surface: 450.854  Hydrophilic surface: 112.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.