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NANOSIN-ZINC03092271

 MMsINC code: MMs02202576
Type: Neutral
Formula: C18H12Cl2N4O2
SMILES:   Clc1ccc(nc1)NC(=O)c1cc(ccc1)C(=O)Nc1ncc(Cl)cc1
InChI:   InChI=1/C18H12Cl2N4O2/c19-13-4-6-15(21-9-13)23-17(25)11-2-1-3-12(8-11)18(26)24-16-7-5-14(20)10-22-16/h1-10H,(H,21,23,25)(H,22,24,26)

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Potential Energy
Epot(MMFF94)=86.2106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.226 g/mol  logS: -4.89968  SlogP: 4.288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00072287  Sterimol/B1: 2.21726  Sterimol/B2: 2.29666  Sterimol/B3: 2.56437
  Sterimol/B4: 7.40964  Sterimol/L: 21.4234 
 
 Surface and Volume Properties
  Accessible surface: 619.149  Positive charged surface: 294.778  Negative charged surface: 324.371  Volume: 324.875
  Hydrophobic surface: 515.539  Hydrophilic surface: 103.61
 
 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.