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IFLAB-ZINC02712800

 MMsINC code: MMs01999701
Type: Neutral
Formula: C11H15N3O4
SMILES:   O1CCCC1CNC(=O)CC=1NC(=O)NC(=O)C=1
InChI:   InChI=1/C11H15N3O4/c15-9(12-6-8-2-1-3-18-8)4-7-5-10(16)14-11(17)13-7/h5,8H,1-4,6H2,(H,12,15)(H2,13,14,16,17)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=3.40555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.258 g/mol  logS: -1.46136  SlogP: -0.605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631517  Sterimol/B1: 2.60721  Sterimol/B2: 2.97168  Sterimol/B3: 3.75136
  Sterimol/B4: 5.24232  Sterimol/L: 15.2952 
 
 Surface and Volume Properties
  Accessible surface: 475.527  Positive charged surface: 332.907  Negative charged surface: 142.62  Volume: 225.5
  Hydrophobic surface: 270.618  Hydrophilic surface: 204.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.