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NCID-ZINC01677379

 MMsINC code: MMs02312364
Type: Neutral
Formula: C7H16N2O2
SMILES:   O(CCN(C)C)C(=O)NCC
InChI:   InChI=1/C7H16N2O2/c1-4-8-7(10)11-6-5-9(2)3/h4-6H2,1-3H3,(H,8,10)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.08816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.217 g/mol  logS: -0.06503  SlogP: 0.2941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825425  Sterimol/B1: 2.70701  Sterimol/B2: 3.43578  Sterimol/B3: 3.48427
  Sterimol/B4: 4.45186  Sterimol/L: 13.1429 
 
 Surface and Volume Properties
  Accessible surface: 400.445  Positive charged surface: 346.632  Negative charged surface: 53.8134  Volume: 174.125
  Hydrophobic surface: 311.728  Hydrophilic surface: 88.717
 
 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


MMs02312365
NCID-ZINC01677379