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NCID-ZINC01646524

 MMsINC code: MMs02287165
Type: Neutral
Formula: C11H14ClNO3
SMILES:   Clc1cc(NC(OCCC)=O)c(OC)cc1
InChI:   InChI=1/C11H14ClNO3/c1-3-6-16-11(14)13-9-7-8(12)4-5-10(9)15-2/h4-5,7H,3,6H2,1-2H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=37.7211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.69 g/mol  logS: -2.97744  SlogP: 3.3071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238117  Sterimol/B1: 2.56069  Sterimol/B2: 3.06415  Sterimol/B3: 4.9278
  Sterimol/B4: 6.23073  Sterimol/L: 14.3559 
 
 Surface and Volume Properties
  Accessible surface: 476.291  Positive charged surface: 308.384  Negative charged surface: 167.907  Volume: 224.875
  Hydrophobic surface: 389.802  Hydrophilic surface: 86.489
 
 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.