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CHEMBRIDGE-ZINC00206311

 MMsINC code: MMs00595616
Type: Neutral
Formula: C11H10ClNO3
SMILES:   Clc1cc2N(C(C(=O)C)C)C(Oc2cc1)=O
InChI:   InChI=1/C11H10ClNO3/c1-6(7(2)14)13-9-5-8(12)3-4-10(9)16-11(13)15/h3-6H,1-2H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=51.2872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.658 g/mol  logS: -3.45658  SlogP: 2.6363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128454  Sterimol/B1: 2.34082  Sterimol/B2: 3.98845  Sterimol/B3: 5.08307
  Sterimol/B4: 5.51324  Sterimol/L: 12.2524 
 
 Surface and Volume Properties
  Accessible surface: 422.817  Positive charged surface: 199.287  Negative charged surface: 223.53  Volume: 207.75
  Hydrophobic surface: 322.067  Hydrophilic surface: 100.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.