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PUBCHEM-ZINC06760983

 MMsINC code: MMs03854260
Type: Neutral
Formula: C6H11NO2
SMILES:   [OH+]=C(O)C1[N-]CCCC1
InChI:   InChI=1/C6H10NO2/c8-6(9)5-3-1-2-4-7-5/h5H,1-4H2,(H,8,9)/q-1/p+1/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.7139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: -0.06034  SlogP: 0.5928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141419  Sterimol/B1: 2.34017  Sterimol/B2: 2.89337  Sterimol/B3: 3.05639
  Sterimol/B4: 4.89695  Sterimol/L: 9.7985 
 
 Surface and Volume Properties
  Accessible surface: 303.72  Positive charged surface: 223.81  Negative charged surface: 79.9093  Volume: 127
  Hydrophobic surface: 192.212  Hydrophilic surface: 111.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 1  Basic groups: 1
  Chiral centers: 1
 
 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.