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PUBCHEM-ZINC06184215

 MMsINC code: MMs03585592
Type: Neutral
Formula: C15H13Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1C(=O)N\N=C\c1c(O)c(ncc1CO)C
InChI:   InChI=1/C15H13Cl2N3O3/c1-8-14(22)12(9(7-21)5-18-8)6-19-20-15(23)11-3-2-10(16)4-13(11)17/h2-6,21-22H,7H2,1H3,(H,20,23)/b19-6+

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Potential Energy
Epot(MMFF94)=103.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.193 g/mol  logS: -3.47105  SlogP: 2.92502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00636203  Sterimol/B1: 2.17341  Sterimol/B2: 2.46163  Sterimol/B3: 2.51707
  Sterimol/B4: 8.59045  Sterimol/L: 17.0783 
 
 Surface and Volume Properties
  Accessible surface: 575.209  Positive charged surface: 315.581  Negative charged surface: 259.628  Volume: 296.5
  Hydrophobic surface: 424.442  Hydrophilic surface: 150.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.