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ASINEX-ZINC00316831

 MMsINC code: MMs00117291
Type: Neutral
Formula: C14H21N5O4
SMILES:   O=C1N(C)C(=O)N(C=2N(CC(=O)NC(C)(C)C)C(=O)N(C1=2)C)C
InChI:   InChI=1/C14H21N5O4/c1-14(2,3)15-8(20)7-19-10-9(16(4)13(19)23)11(21)18(6)12(22)17(10)5/h7H2,1-6H3,(H,15,20)

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Potential Energy
Epot(MMFF94)=54.5485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.353 g/mol  logS: -1.72623  SlogP: -0.0386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100616  Sterimol/B1: 2.4301  Sterimol/B2: 4.42527  Sterimol/B3: 4.81141
  Sterimol/B4: 6.04498  Sterimol/L: 14.9006 
 
 Surface and Volume Properties
  Accessible surface: 542.981  Positive charged surface: 414.421  Negative charged surface: 128.56  Volume: 296.875
  Hydrophobic surface: 351.237  Hydrophilic surface: 191.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.