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ACROSORGANICS-ZINC06661553

 MMsINC code: MMs00018965
Type: Neutral
Formula: C9H15NO4
SMILES:   O(C)C1CN(CCC1=O)C(OCC)=O
InChI:   InChI=1/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=15.2473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.222 g/mol  logS: -0.5659  SlogP: 0.4327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758999  Sterimol/B1: 2.3816  Sterimol/B2: 3.68274  Sterimol/B3: 4.00533
  Sterimol/B4: 4.47983  Sterimol/L: 13.9434 
 
 Surface and Volume Properties
  Accessible surface: 420.039  Positive charged surface: 328.968  Negative charged surface: 91.0715  Volume: 193.25
  Hydrophobic surface: 320.629  Hydrophilic surface: 99.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.