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PUBCHEM-ZINC05967065

 MMsINC code: MMs03466874
Type: Neutral
Formula: C7H11NO3
SMILES:   O=C1N(CC(C1)C(OC)=O)C
InChI:   InChI=1/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.9576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.169 g/mol  logS: 0.14747  SlogP: -0.3623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06749  Sterimol/B1: 2.56171  Sterimol/B2: 2.56945  Sterimol/B3: 3.37934
  Sterimol/B4: 4.45077  Sterimol/L: 11.712 
 
 Surface and Volume Properties
  Accessible surface: 354.845  Positive charged surface: 284.962  Negative charged surface: 69.8828  Volume: 149.75
  Hydrophobic surface: 271.599  Hydrophilic surface: 83.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.