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CHEMBLOCK-ZINC00117705

 MMsINC code: MMs00500101
Type: Neutral
Formula: C18H20N4O3
SMILES:   O(C)c1c(OC)cc(cc1OC)-c1nn(nn1)Cc1ccccc1C
InChI:   InChI=1/C18H20N4O3/c1-12-7-5-6-8-13(12)11-22-20-18(19-21-22)14-9-15(23-2)17(25-4)16(10-14)24-3/h5-10H,11H2,1-4H3

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Potential Energy
Epot(MMFF94)=120.799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.383 g/mol  logS: -4.30809  SlogP: 2.98902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869  Sterimol/B1: 3.54049  Sterimol/B2: 3.65071  Sterimol/B3: 4.53452
  Sterimol/B4: 7.91479  Sterimol/L: 15.9248 
 
 Surface and Volume Properties
  Accessible surface: 615.983  Positive charged surface: 443.79  Negative charged surface: 172.193  Volume: 325.25
  Hydrophobic surface: 536.43  Hydrophilic surface: 79.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.