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ASINEX-ZINC04906368

 MMsINC code: MMs00401422
Type: Neutral
Formula: C15H19Cl2NO6
SMILES:   Clc1cc(Cl)ccc1COC1OC(CO)C(O)C(O)C1NC(=O)C
InChI:   InChI=1/C15H19Cl2NO6/c1-7(20)18-12-14(22)13(21)11(5-19)24-15(12)23-6-8-2-3-9(16)4-10(8)17/h2-4,11-15,19,21-22H,5-6H2,1H3,(H,18,20)/t11-,12-,13+,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=85.7591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.224 g/mol  logS: -2.71418  SlogP: 0.7201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919135  Sterimol/B1: 2.11176  Sterimol/B2: 3.47622  Sterimol/B3: 3.96572
  Sterimol/B4: 10.013  Sterimol/L: 15.2039 
 
 Surface and Volume Properties
  Accessible surface: 596.823  Positive charged surface: 330.711  Negative charged surface: 266.112  Volume: 318.75
  Hydrophobic surface: 427.162  Hydrophilic surface: 169.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.