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NCID-ZINC01646541

 MMsINC code: MMs02287177
Type: Neutral
Formula: C10H11Cl2NO3
SMILES:   Clc1cc(NC(OCCCl)=O)c(OC)cc1
InChI:   InChI=1/C10H11Cl2NO3/c1-15-9-3-2-7(12)6-8(9)13-10(14)16-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=41.0578 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: 0.0279287  Sterimol/B1: 2.56692  Sterimol/B2: 2.77923  Sterimol/B3: 3.90937
  Sterimol/B4: 8.54309  Sterimol/L: 13.1527 
 
 Surface and Volume Properties
  Accessible surface: 472.536  Positive charged surface: 266.966  Negative charged surface: 205.57  Volume: 222
  Hydrophobic surface: 345.353  Hydrophilic surface: 127.183
 
 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.