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PUBCHEM-ZINC00398271

 MMsINC code: MMs02674634
Type: Neutral
Formula: C13H11ClN2O3
SMILES:   Clc1ccc(OC(=O)Nc2ccccc2OC)nc1
InChI:   InChI=1/C13H11ClN2O3/c1-18-11-5-3-2-4-10(11)16-13(17)19-12-7-6-9(14)8-15-12/h2-8H,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=83.1508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.695 g/mol  logS: -3.23391  SlogP: 3.3545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159818  Sterimol/B1: 2.41547  Sterimol/B2: 2.57008  Sterimol/B3: 2.97097
  Sterimol/B4: 7.01666  Sterimol/L: 15.6545 
 
 Surface and Volume Properties
  Accessible surface: 498.194  Positive charged surface: 300.108  Negative charged surface: 198.086  Volume: 242.875
  Hydrophobic surface: 428.175  Hydrophilic surface: 70.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.