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ENAMINE-ZINC06078323

 MMsINC code: MMs01652735
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1cc(Cl)cc(C(OCCOC(=O)c2ccccc2)=O)c1N
InChI:   InChI=1/C16H13Cl2NO4/c17-11-8-12(14(19)13(18)9-11)16(21)23-7-6-22-15(20)10-4-2-1-3-5-10/h1-5,8-9H,6-7,19H2

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Potential Energy
Epot(MMFF94)=80.7761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.189 g/mol  logS: -5.13214  SlogP: 3.5894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609584  Sterimol/B1: 2.74918  Sterimol/B2: 3.64544  Sterimol/B3: 4.9219
  Sterimol/B4: 6.82084  Sterimol/L: 17.3607 
 
 Surface and Volume Properties
  Accessible surface: 590.507  Positive charged surface: 287.786  Negative charged surface: 302.72  Volume: 302.25
  Hydrophobic surface: 484.274  Hydrophilic surface: 106.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.