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OAKWOOD-ZINC04312764

 MMsINC code: MMs02553031
Type: Neutral
Formula: C8H14N2O4
SMILES:   OC(=O)C(N1CCNCC1)CC(O)=O
InChI:   InChI=1/C8H14N2O4/c11-7(12)5-6(8(13)14)10-3-1-9-2-4-10/h6,9H,1-5H2,(H,11,12)(H,13,14)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=64.6798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: 0.72219  SlogP: -1.1805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270524  Sterimol/B1: 2.5073  Sterimol/B2: 2.88222  Sterimol/B3: 4.47878
  Sterimol/B4: 6.58803  Sterimol/L: 10.02 
 
 Surface and Volume Properties
  Accessible surface: 377.901  Positive charged surface: 283.203  Negative charged surface: 94.698  Volume: 180.25
  Hydrophobic surface: 184.814  Hydrophilic surface: 193.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs02553032
OAKWOOD-ZINC04312764