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BACHEM-ZINC02575478

 MMsINC code: MMs00484513
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)CNC(=O)CNC
InChI:   InChI=1/C5H10N2O3/c1-6-2-4(8)7-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.47411  SlogP: -1.5934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291709  Sterimol/B1: 2.42598  Sterimol/B2: 2.47024  Sterimol/B3: 3.10831
  Sterimol/B4: 3.57612  Sterimol/L: 12.9011 
 
 Surface and Volume Properties
  Accessible surface: 339.233  Positive charged surface: 256.127  Negative charged surface: 83.1063  Volume: 135.25
  Hydrophobic surface: 157.918  Hydrophilic surface: 181.315
 
 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


MMs00484514
BACHEM-ZINC02575478