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MAYBRIDGE-ZINC04324059

 MMsINC code: MMs02166297
Type: Neutral
Formula: C10H16N2O3
SMILES:   O=C1NC(=O)NC(COC)=C1CCCC
InChI:   InChI=1/C10H16N2O3/c1-3-4-5-7-8(6-15-2)11-10(14)12-9(7)13/h3-6H2,1-2H3,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-3.19837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.249 g/mol  logS: -2.4171  SlogP: 0.9165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109553  Sterimol/B1: 2.38533  Sterimol/B2: 4.03933  Sterimol/B3: 4.93148
  Sterimol/B4: 5.58483  Sterimol/L: 12.0149 
 
 Surface and Volume Properties
  Accessible surface: 435.161  Positive charged surface: 314.153  Negative charged surface: 121.008  Volume: 204.375
  Hydrophobic surface: 254.802  Hydrophilic surface: 180.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.