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PUBCHEM-ZINC05967136

 MMsINC code: MMs03466923
Type: Neutral
Formula: C7H14N2O3
SMILES:   O(C)C1N(C)C(=O)N(C)C1OC
InChI:   InChI=1/C7H14N2O3/c1-8-5(11-3)6(12-4)9(2)7(8)10/h5-6H,1-4H3/t5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: 0.41207  SlogP: -0.0714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100841  Sterimol/B1: 2.64371  Sterimol/B2: 2.87627  Sterimol/B3: 3.16205
  Sterimol/B4: 6.16603  Sterimol/L: 9.33611 
 
 Surface and Volume Properties
  Accessible surface: 371.81  Positive charged surface: 332.805  Negative charged surface: 39.0048  Volume: 170.375
  Hydrophobic surface: 317.993  Hydrophilic surface: 53.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.