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NCID-ZINC05543199

 MMsINC code: MMs02472919
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(\C=N\N=C/c2cc(Cl)ccc2O)c(O)cc1
InChI:   InChI=1/C14H10Cl2N2O2/c15-11-1-3-13(19)9(5-11)7-17-18-8-10-6-12(16)2-4-14(10)20/h1-8,19-20H/b17-7-,18-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.23758  SlogP: 3.8576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781621  Sterimol/B1: 3.58899  Sterimol/B2: 3.92286  Sterimol/B3: 4.20743
  Sterimol/B4: 5.13141  Sterimol/L: 14.4 
 
 Surface and Volume Properties
  Accessible surface: 491.731  Positive charged surface: 248.757  Negative charged surface: 242.975  Volume: 262
  Hydrophobic surface: 368.498  Hydrophilic surface: 123.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.