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CHEMBRIDGE-ZINC01232074

 MMsINC code: MMs00692611
Type: Neutral
Formula: C16H15Cl2NO4
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OC(C(OCC)=O)C)cc1
InChI:   InChI=1/C16H15Cl2NO4/c1-3-21-16(20)10(2)22-12-4-6-13(7-5-12)23-15-14(18)8-11(17)9-19-15/h4-10H,3H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=88.2711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.205 g/mol  logS: -4.80226  SlogP: 4.5111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461073  Sterimol/B1: 2.7256  Sterimol/B2: 4.24915  Sterimol/B3: 4.55974
  Sterimol/B4: 4.73557  Sterimol/L: 19.0459 
 
 Surface and Volume Properties
  Accessible surface: 620.794  Positive charged surface: 330.655  Negative charged surface: 290.139  Volume: 309.5
  Hydrophobic surface: 525.666  Hydrophilic surface: 95.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.