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BACHEM-ZINC02508203

 MMsINC code: MMs00483226
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)CCC(N)C(=O)N
InChI:   InChI=1/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.5809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.36001  SlogP: -1.3362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108474  Sterimol/B1: 2.62016  Sterimol/B2: 3.05386  Sterimol/B3: 3.23969
  Sterimol/B4: 4.12827  Sterimol/L: 10.803 
 
 Surface and Volume Properties
  Accessible surface: 326.069  Positive charged surface: 220.357  Negative charged surface: 105.712  Volume: 130.125
  Hydrophobic surface: 73.4774  Hydrophilic surface: 252.5916
 
 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.