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OAKWOOD-ZINC04265668

 MMsINC code: MMs02550538
Type: Ionized
Formula: C7H10NO3-
SMILES:   O=C([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)/p-1/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.17483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.161 g/mol  logS: -0.11855  SlogP: -1.3953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171554  Sterimol/B1: 2.53861  Sterimol/B2: 2.62163  Sterimol/B3: 3.33982
  Sterimol/B4: 5.64129  Sterimol/L: 10.3971 
 
 Surface and Volume Properties
  Accessible surface: 326.591  Positive charged surface: 216.413  Negative charged surface: 110.178  Volume: 144.5
  Hydrophobic surface: 179.684  Hydrophilic surface: 146.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02550537
OAKWOOD-ZINC04265668