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ASINEX-ZINC04848301

 MMsINC code: MMs00378687
Type: Neutral
Formula: C17H26N4O5
SMILES:   O(CCN(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NCCOC)C
InChI:   InChI=1/C17H26N4O5/c1-25-11-9-19-16(23)13-21(10-12-26-2)17(24)7-6-15(22)20-14-5-3-4-8-18-14/h3-5,8H,6-7,9-13H2,1-2H3,(H,19,23)(H,18,20,22)

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Potential Energy
Epot(MMFF94)=72.1838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.418 g/mol  logS: -0.92836  SlogP: 0.0379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365898  Sterimol/B1: 3.25908  Sterimol/B2: 3.50643  Sterimol/B3: 3.67185
  Sterimol/B4: 7.2357  Sterimol/L: 21.5411 
 
 Surface and Volume Properties
  Accessible surface: 690.738  Positive charged surface: 560.596  Negative charged surface: 130.141  Volume: 352.875
  Hydrophobic surface: 555.454  Hydrophilic surface: 135.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.