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CHEMBLOCK-ZINC01446072

 MMsINC code: MMs00528231
Type: Neutral
Formula: C18H19N7O2
SMILES:   O(CC)c1nc(nc(n1)N(N)C(=O)N)N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H19N7O2/c1-2-27-18-22-16(21-17(23-18)25(20)15(19)26)24(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3,(H2,19,26)

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Potential Energy
Epot(MMFF94)=58.9926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.397 g/mol  logS: -6.33737  SlogP: 2.4989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076309  Sterimol/B1: 2.75005  Sterimol/B2: 3.09419  Sterimol/B3: 3.59224
  Sterimol/B4: 9.29503  Sterimol/L: 13.4389 
 
 Surface and Volume Properties
  Accessible surface: 622.323  Positive charged surface: 407.648  Negative charged surface: 214.675  Volume: 342.125
  Hydrophobic surface: 420.574  Hydrophilic surface: 201.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.