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OAKWOOD-ZINC04265668

 MMsINC code: MMs02550537
Type: Neutral
Formula: C7H11NO3
SMILES:   OC(=O)C1CCCN(C1)C=O
InChI:   InChI=1/C7H11NO3/c9-5-8-3-1-2-6(4-8)7(10)11/h5-6H,1-4H2,(H,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-0.477808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.169 g/mol  logS: 0.1419  SlogP: -0.0606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138933  Sterimol/B1: 2.48758  Sterimol/B2: 2.55122  Sterimol/B3: 3.34932
  Sterimol/B4: 5.84158  Sterimol/L: 10.2993 
 
 Surface and Volume Properties
  Accessible surface: 329.756  Positive charged surface: 240.894  Negative charged surface: 88.862  Volume: 145.5
  Hydrophobic surface: 179.655  Hydrophilic surface: 150.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02550538
OAKWOOD-ZINC04265668