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MAYBRIDGE-ZINC04390315

 MMsINC code: MMs02173998
Type: Neutral
Formula: C9H15NO4
SMILES:   OC(=O)C1CCN(CC1)CCC(O)=O
InChI:   InChI=1/C9H15NO4/c11-8(12)3-6-10-4-1-7(2-5-10)9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=-4.84576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.222 g/mol  logS: 0.32911  SlogP: 0.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650377  Sterimol/B1: 2.62657  Sterimol/B2: 2.63885  Sterimol/B3: 3.39531
  Sterimol/B4: 4.82407  Sterimol/L: 13.9753 
 
 Surface and Volume Properties
  Accessible surface: 403.335  Positive charged surface: 291.221  Negative charged surface: 112.114  Volume: 185.5
  Hydrophobic surface: 211.895  Hydrophilic surface: 191.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02173999
MAYBRIDGE-ZINC04390315