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CHEMBRIDGE-ZINC02826706

 MMsINC code: MMs00721300
Type: Neutral
Formula: C16H15Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1OCCCC(ONC(=N)c1ncccc1)=O
InChI:   InChI=1/C16H15Cl2N3O3/c17-11-6-7-14(12(18)10-11)23-9-3-5-15(22)24-21-16(19)13-4-1-2-8-20-13/h1-2,4,6-8,10H,3,5,9H2,(H2,19,21)

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Potential Energy
Epot(MMFF94)=95.0942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.22 g/mol  logS: -4.54363  SlogP: 3.62077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00403969  Sterimol/B1: 2.37422  Sterimol/B2: 2.37839  Sterimol/B3: 3.77958
  Sterimol/B4: 5.52481  Sterimol/L: 21.9332 
 
 Surface and Volume Properties
  Accessible surface: 639.309  Positive charged surface: 334.127  Negative charged surface: 305.182  Volume: 317.75
  Hydrophobic surface: 517.752  Hydrophilic surface: 121.557
 
 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.