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IBS-ZINC05026029

 MMsINC code: MMs01914181
Type: Neutral
Formula: C10H15N3O4
SMILES:   O=C1NC(=O)NC(=O)C1=C(NCCCO)CC
InChI:   InChI=1/C10H15N3O4/c1-2-6(11-4-3-5-14)7-8(15)12-10(17)13-9(7)16/h11,14H,2-5H2,1H3,(H2,12,13,15,16,17)

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Potential Energy
Epot(MMFF94)=-3.09642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.247 g/mol  logS: -1.08405  SlogP: -1.0115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414349  Sterimol/B1: 2.13211  Sterimol/B2: 2.53729  Sterimol/B3: 3.43593
  Sterimol/B4: 7.02482  Sterimol/L: 14.7097 
 
 Surface and Volume Properties
  Accessible surface: 444.235  Positive charged surface: 304.859  Negative charged surface: 139.376  Volume: 214.375
  Hydrophobic surface: 184.221  Hydrophilic surface: 260.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.