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TYGER-ZINC04203050

 MMsINC code: MMs03950474
Type: Neutral
Formula: C11H19NO4
SMILES:   O(C(=O)C1CNC(C(OCC)=O)C1C)CC
InChI:   InChI=1/C11H19NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h7-9,12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=42.6995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -1.1371  SlogP: 0.3367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815429  Sterimol/B1: 2.36225  Sterimol/B2: 2.66577  Sterimol/B3: 4.18384
  Sterimol/B4: 6.46344  Sterimol/L: 15.0081 
 
 Surface and Volume Properties
  Accessible surface: 482.417  Positive charged surface: 361.083  Negative charged surface: 121.334  Volume: 227.25
  Hydrophobic surface: 325.403  Hydrophilic surface: 157.014
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.