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NCID-ZINC04578547

 MMsINC code: MMs02391625
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCC1)CCCC(=O)N
InChI:   InChI=1/C8H14N2O2/c9-7(11)3-1-5-10-6-2-4-8(10)12/h1-6H2,(H2,9,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.19415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.2519  SlogP: -0.1257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0905264  Sterimol/B1: 2.87362  Sterimol/B2: 3.27005  Sterimol/B3: 3.46513
  Sterimol/B4: 4.57013  Sterimol/L: 12.3886 
 
 Surface and Volume Properties
  Accessible surface: 379.682  Positive charged surface: 282.963  Negative charged surface: 96.7194  Volume: 169.125
  Hydrophobic surface: 232.277  Hydrophilic surface: 147.405
 
 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: no related molecules available.