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MAYBRIDGE-ZINC04382618

 MMsINC code: MMs02173188
Type: Neutral
Formula: C14H13ClN2O2
SMILES:   Clc1ccc(cc1)COc1ccc(cc1)/C(=N\O)/N
InChI:   InChI=1/C14H13ClN2O2/c15-12-5-1-10(2-6-12)9-19-13-7-3-11(4-8-13)14(16)17-18/h1-8,18H,9H2,(H2,16,17)

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Potential Energy
Epot(MMFF94)=69.4736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.723 g/mol  logS: -4.00479  SlogP: 3.2799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454146  Sterimol/B1: 2.42067  Sterimol/B2: 3.33965  Sterimol/B3: 4.14279
  Sterimol/B4: 4.81694  Sterimol/L: 18.2036 
 
 Surface and Volume Properties
  Accessible surface: 513.093  Positive charged surface: 262.296  Negative charged surface: 250.797  Volume: 252.125
  Hydrophobic surface: 370.461  Hydrophilic surface: 142.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.