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NCID-ZINC01634342

 MMsINC code: MMs02278397
Type: Neutral
Formula: C5H12N2O2
SMILES:   OC(CNC(=O)N)(C)C
InChI:   InChI=1/C5H12N2O2/c1-5(2,9)3-7-4(6)8/h9H,3H2,1-2H3,(H3,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.98276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.163 g/mol  logS: -0.1622  SlogP: -0.5744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129707  Sterimol/B1: 2.61336  Sterimol/B2: 3.16542  Sterimol/B3: 3.42198
  Sterimol/B4: 4.14832  Sterimol/L: 10.578 
 
 Surface and Volume Properties
  Accessible surface: 322.345  Positive charged surface: 225.193  Negative charged surface: 97.1516  Volume: 129.25
  Hydrophobic surface: 120.656  Hydrophilic surface: 201.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.