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CHEMBRIDGE-ZINC00316175

 MMsINC code: MMs00607639
Type: Neutral
Formula: C10H12ClNO2
SMILES:   Clc1cc(NC(=O)CC)c(OC)cc1
InChI:   InChI=1/C10H12ClNO2/c1-3-10(13)12-8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=48.5445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.664 g/mol  logS: -2.58077  SlogP: 2.6971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362974  Sterimol/B1: 2.54147  Sterimol/B2: 3.14072  Sterimol/B3: 4.76703
  Sterimol/B4: 6.30636  Sterimol/L: 11.9545 
 
 Surface and Volume Properties
  Accessible surface: 422.345  Positive charged surface: 263.902  Negative charged surface: 158.443  Volume: 197.125
  Hydrophobic surface: 356.151  Hydrophilic surface: 66.194
 
 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.