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NCID-ZINC01589824

 MMsINC code: MMs02245000
Type: Neutral
Formula: C7H14N2O2
SMILES:   O(C(=O)N1CCN(CC1)C)C
InChI:   InChI=1/C7H14N2O2/c1-8-3-5-9(6-4-8)7(10)11-2/h3-6H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.2494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: 0.21933  SlogP: 0.0002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906975  Sterimol/B1: 2.56862  Sterimol/B2: 3.27783  Sterimol/B3: 3.71438
  Sterimol/B4: 4.20679  Sterimol/L: 11.7238 
 
 Surface and Volume Properties
  Accessible surface: 361.093  Positive charged surface: 331.982  Negative charged surface: 29.1103  Volume: 160.125
  Hydrophobic surface: 319.744  Hydrophilic surface: 41.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02245001
NCID-ZINC01589824