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NCID-ZINC01676162

 MMsINC code: MMs02311392
Type: Neutral
Formula: C10H15N3O5
SMILES:   O=C1NC(=O)NC=C1C(=O)CN(CCO)CCO
InChI:   InChI=1/C10H15N3O5/c14-3-1-13(2-4-15)6-8(16)7-5-11-10(18)12-9(7)17/h5,14-15H,1-4,6H2,(H2,11,12,17,18)

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Potential Energy
Epot(MMFF94)=60.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.246 g/mol  logS: -0.2468  SlogP: -2.4346  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142422  Sterimol/B1: 2.50197  Sterimol/B2: 3.5116  Sterimol/B3: 4.97833
  Sterimol/B4: 5.03494  Sterimol/L: 14 
 
 Surface and Volume Properties
  Accessible surface: 448.734  Positive charged surface: 322.788  Negative charged surface: 125.946  Volume: 220.875
  Hydrophobic surface: 191.024  Hydrophilic surface: 257.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02311393
NCID-ZINC01676162