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ACROSORGANICS-ZINC01683672

 MMsINC code: MMs00010864
Type: Neutral
Formula: C6H12N2O2
SMILES:   O=C(N)CCCCC(=O)N
InChI:   InChI=1/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.84927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.174 g/mol  logS: -0.31504  SlogP: -0.4826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033437  Sterimol/B1: 2.37495  Sterimol/B2: 2.3759  Sterimol/B3: 2.94755
  Sterimol/B4: 3.83612  Sterimol/L: 12.8523 
 
 Surface and Volume Properties
  Accessible surface: 338.614  Positive charged surface: 248.675  Negative charged surface: 89.9388  Volume: 145.125
  Hydrophobic surface: 126.664  Hydrophilic surface: 211.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.