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ASINEX-ZINC02384486

 MMsINC code: MMs00270682
Type: Neutral
Formula: C8H14N2O4
SMILES:   OC(=O)CNC(=O)CNC(=O)C(C)C
InChI:   InChI=1/C8H14N2O4/c1-5(2)8(14)10-3-6(11)9-4-7(12)13/h5H,3-4H2,1-2H3,(H,9,11)(H,10,14)(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.3767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.34242  SlogP: -1.0406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289602  Sterimol/B1: 2.13802  Sterimol/B2: 2.52321  Sterimol/B3: 3.44627
  Sterimol/B4: 4.87209  Sterimol/L: 15.4463 
 
 Surface and Volume Properties
  Accessible surface: 422.877  Positive charged surface: 284.063  Negative charged surface: 138.814  Volume: 187.25
  Hydrophobic surface: 184.9  Hydrophilic surface: 237.977
 
 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


MMs00270683
ASINEX-ZINC02384486