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MAYBRIDGE-ZINC04382625

 MMsINC code: MMs02173193
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1COc1ccc(cc1)/C(=N\O)/N
InChI:   InChI=1/C14H12Cl2N2O2/c15-11-4-1-10(13(16)7-11)8-20-12-5-2-9(3-6-12)14(17)18-19/h1-7,19H,8H2,(H2,17,18)

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Potential Energy
Epot(MMFF94)=67.6401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.168 g/mol  logS: -4.73908  SlogP: 3.9333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0028189  Sterimol/B1: 2.37408  Sterimol/B2: 2.37603  Sterimol/B3: 2.63423
  Sterimol/B4: 6.31849  Sterimol/L: 18.2167 
 
 Surface and Volume Properties
  Accessible surface: 526.291  Positive charged surface: 234.19  Negative charged surface: 292.102  Volume: 269.25
  Hydrophobic surface: 391.83  Hydrophilic surface: 134.461
 
 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.