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ENAMINE-ZINC03569257

 MMsINC code: MMs01513031
Type: Neutral
Formula: C14H20N4O3
SMILES:   O(C(=O)c1nccnc1N)CC(=O)N(C)C1CCCCC1
InChI:   InChI=1/C14H20N4O3/c1-18(10-5-3-2-4-6-10)11(19)9-21-14(20)12-13(15)17-8-7-16-12/h7-8,10H,2-6,9H2,1H3,(H2,15,17)

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Potential Energy
Epot(MMFF94)=87.3807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.339 g/mol  logS: -0.97311  SlogP: 1.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436339  Sterimol/B1: 1.969  Sterimol/B2: 3.50058  Sterimol/B3: 3.77799
  Sterimol/B4: 6.85761  Sterimol/L: 17.2429 
 
 Surface and Volume Properties
  Accessible surface: 542.747  Positive charged surface: 423.874  Negative charged surface: 118.874  Volume: 276.75
  Hydrophobic surface: 376.693  Hydrophilic surface: 166.054
 
 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.