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NCID-ZINC01634338

 MMsINC code: MMs02278392
Type: Neutral
Formula: C5H12N2O2
SMILES:   O(CCN(C)C)C(=O)N
InChI:   InChI=1/C5H12N2O2/c1-7(2)3-4-9-5(6)8/h3-4H2,1-2H3,(H2,6,8)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.86159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.163 g/mol  logS: 0.15619  SlogP: -0.3567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172018  Sterimol/B1: 2.20077  Sterimol/B2: 2.43205  Sterimol/B3: 4.25166
  Sterimol/B4: 4.33909  Sterimol/L: 10.6462 
 
 Surface and Volume Properties
  Accessible surface: 334.237  Positive charged surface: 285.949  Negative charged surface: 48.2881  Volume: 134.875
  Hydrophobic surface: 206.93  Hydrophilic surface: 127.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02278393
NCID-ZINC01634338