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ENAMINE-ZINC03388861

 MMsINC code: MMs01412382
Type: Neutral
Formula: C16H13Cl2NO4
SMILES:   Clc1c(NC(=O)COC(=O)COc2ccccc2)cccc1Cl
InChI:   InChI=1/C16H13Cl2NO4/c17-12-7-4-8-13(16(12)18)19-14(20)9-23-15(21)10-22-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=92.4387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.189 g/mol  logS: -5.30844  SlogP: 3.5541  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0105074  Sterimol/B1: 2.9959  Sterimol/B2: 3.13033  Sterimol/B3: 3.43509
  Sterimol/B4: 5.43623  Sterimol/L: 20.2387 
 
 Surface and Volume Properties
  Accessible surface: 597.939  Positive charged surface: 285.528  Negative charged surface: 312.411  Volume: 300.375
  Hydrophobic surface: 504.113  Hydrophilic surface: 93.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.