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PUBCHEM-ZINC05625065

 MMsINC code: MMs03327652
Type: Neutral
Formula: C14H22N4O4
SMILES:   O1CCN(CC1)CC(=O)NC=1N(CC(C)C)C(=O)NC(=O)C=1
InChI:   InChI=1/C14H22N4O4/c1-10(2)8-18-11(7-12(19)16-14(18)21)15-13(20)9-17-3-5-22-6-4-17/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,19,21)

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Potential Energy
Epot(MMFF94)=57.3049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.354 g/mol  logS: -1.75451  SlogP: -0.516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708041  Sterimol/B1: 3.06883  Sterimol/B2: 3.71938  Sterimol/B3: 3.88643
  Sterimol/B4: 7.52003  Sterimol/L: 13.9949 
 
 Surface and Volume Properties
  Accessible surface: 533.947  Positive charged surface: 390.927  Negative charged surface: 143.021  Volume: 289.625
  Hydrophobic surface: 338.824  Hydrophilic surface: 195.123
 
 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


MMs03327653
PUBCHEM-ZINC05625065