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IFLAB-ZINC02712784

 MMsINC code: MMs01999690
Type: Neutral
Formula: C10H15N3O4
SMILES:   O=C1NC(=O)NC(=C1)CC(=O)NC(CC)CO
InChI:   InChI=1/C10H15N3O4/c1-2-6(5-14)11-8(15)3-7-4-9(16)13-10(17)12-7/h4,6,14H,2-3,5H2,1H3,(H,11,15)(H2,12,13,16,17)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=2.27986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.247 g/mol  logS: -1.09278  SlogP: -1.0131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0938557  Sterimol/B1: 2.51134  Sterimol/B2: 3.07802  Sterimol/B3: 3.91847
  Sterimol/B4: 5.75641  Sterimol/L: 13.278 
 
 Surface and Volume Properties
  Accessible surface: 451.443  Positive charged surface: 311.828  Negative charged surface: 139.615  Volume: 217.125
  Hydrophobic surface: 201.917  Hydrophilic surface: 249.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.