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PUBCHEM-ZINC02171928

 MMsINC code: MMs02880414
Type: Neutral
Formula: C10H11Cl2NO3
SMILES:   Clc1cccc(NC(OCCCl)=O)c1OC
InChI:   InChI=1/C10H11Cl2NO3/c1-15-9-7(12)3-2-4-8(9)13-10(14)16-6-5-11/h2-4H,5-6H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=47.4257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.108 g/mol  logS: -3.21374  SlogP: 3.1359  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0422654  Sterimol/B1: 2.51352  Sterimol/B2: 2.55063  Sterimol/B3: 4.25424
  Sterimol/B4: 7.47066  Sterimol/L: 14.2216 
 
 Surface and Volume Properties
  Accessible surface: 464.941  Positive charged surface: 259.584  Negative charged surface: 205.357  Volume: 221.25
  Hydrophobic surface: 340.366  Hydrophilic surface: 124.575
 
 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.