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ENAMINE-ZINC03567281

 MMsINC code: MMs01512138
Type: Neutral
Formula: C10H13N5O4
SMILES:   O(C(=O)c1nccnc1N)CC(=O)NC(=O)NCC
InChI:   InChI=1/C10H13N5O4/c1-2-12-10(18)15-6(16)5-19-9(17)7-8(11)14-4-3-13-7/h3-4H,2,5H2,1H3,(H2,11,14)(H2,12,15,16,18)

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Potential Energy
Epot(MMFF94)=60.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.245 g/mol  logS: -0.1637  SlogP: -0.9387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0068949  Sterimol/B1: 2.44323  Sterimol/B2: 2.479  Sterimol/B3: 3.79761
  Sterimol/B4: 4.77498  Sterimol/L: 17.964 
 
 Surface and Volume Properties
  Accessible surface: 504.319  Positive charged surface: 377.27  Negative charged surface: 127.049  Volume: 232.375
  Hydrophobic surface: 239.687  Hydrophilic surface: 264.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.