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ENAMINE-ZINC03518121

 MMsINC code: MMs01487340
Type: Neutral
Formula: C10H13N3O4
SMILES:   O(C(=O)c1n(ccc1)C)CC(=O)NC(=O)NC
InChI:   InChI=1/C10H13N3O4/c1-11-10(16)12-8(14)6-17-9(15)7-4-3-5-13(7)2/h3-5H,6H2,1-2H3,(H2,11,12,14,16)

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Potential Energy
Epot(MMFF94)=12.8412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.231 g/mol  logS: -0.65786  SlogP: -0.0033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00968715  Sterimol/B1: 2.3783  Sterimol/B2: 2.50397  Sterimol/B3: 3.55758
  Sterimol/B4: 4.83638  Sterimol/L: 16.7039 
 
 Surface and Volume Properties
  Accessible surface: 467.082  Positive charged surface: 332.031  Negative charged surface: 135.051  Volume: 216.5
  Hydrophobic surface: 293.766  Hydrophilic surface: 173.316
 
 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.