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NCID-ZINC01602293

 MMsINC code: MMs02255160
Type: Neutral
Formula: C6H14N2O3
SMILES:   OCCN(CCO)C(=O)NC
InChI:   InChI=1/C6H14N2O3/c1-7-6(11)8(2-4-9)3-5-10/h9-10H,2-5H2,1H3,(H,7,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.940891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.189 g/mol  logS: 0.90674  SlogP: -1.3876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20829  Sterimol/B1: 3.02261  Sterimol/B2: 3.07427  Sterimol/B3: 3.33548
  Sterimol/B4: 5.62232  Sterimol/L: 10.0403 
 
 Surface and Volume Properties
  Accessible surface: 359.641  Positive charged surface: 316.252  Negative charged surface: 43.3897  Volume: 158.5
  Hydrophobic surface: 235.195  Hydrophilic surface: 124.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.