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IFLAB-ZINC02712788

 MMsINC code: MMs01999691
Type: Neutral
Formula: C10H15N3O5
SMILES:   O=C1NC(=O)NC(=C1)CC(=O)NC(CO)(CO)C
InChI:   InChI=1/C10H15N3O5/c1-10(4-14,5-15)13-8(17)3-6-2-7(16)12-9(18)11-6/h2,14-15H,3-5H2,1H3,(H,13,17)(H2,11,12,16,18)

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Potential Energy
Epot(MMFF94)=23.2129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.246 g/mol  logS: -0.68847  SlogP: -2.0407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107759  Sterimol/B1: 2.19885  Sterimol/B2: 2.55604  Sterimol/B3: 4.4918
  Sterimol/B4: 5.80485  Sterimol/L: 13.9452 
 
 Surface and Volume Properties
  Accessible surface: 464.679  Positive charged surface: 320.575  Negative charged surface: 144.104  Volume: 223
  Hydrophobic surface: 179.406  Hydrophilic surface: 285.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.