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PUBCHEM-ZINC00336340

 MMsINC code: MMs02657876
Type: Neutral
Formula: C10H15N3O3
SMILES:   O=C1N(CC)C(=O)N(CC)C(N)=C1C(=O)C
InChI:   InChI=1/C10H15N3O3/c1-4-12-8(11)7(6(3)14)9(15)13(5-2)10(12)16/h4-5,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=1.56392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -1.24991  SlogP: 0.0497  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15195  Sterimol/B1: 2.23113  Sterimol/B2: 2.37693  Sterimol/B3: 4.21837
  Sterimol/B4: 8.51649  Sterimol/L: 10.6935 
 
 Surface and Volume Properties
  Accessible surface: 419.012  Positive charged surface: 281.225  Negative charged surface: 137.787  Volume: 209.375
  Hydrophobic surface: 252.654  Hydrophilic surface: 166.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.