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ASINEX-ZINC04906371

 MMsINC code: MMs00401423
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)=81.7288 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: 0.139627  Sterimol/B1: 2.47473  Sterimol/B2: 2.59238  Sterimol/B3: 5.40277
  Sterimol/B4: 9.34747  Sterimol/L: 15.1084 
 
 Surface and Volume Properties
  Accessible surface: 597.523  Positive charged surface: 325.699  Negative charged surface: 271.824  Volume: 318
  Hydrophobic surface: 432.762  Hydrophilic surface: 164.761
 
 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.