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ACROSORGANICS-ZINC02579376

 MMsINC code: MMs00014779
Type: Neutral
Formula: C12H21NO4
SMILES:   O(C(C)(C)C)C(=O)NC1CC(CC1)C(OC)=O
InChI:   InChI=1/C12H21NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.303 g/mol  logS: -1.74036  SlogP: 1.8528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533931  Sterimol/B1: 2.16399  Sterimol/B2: 2.56436  Sterimol/B3: 4.50415
  Sterimol/B4: 4.75717  Sterimol/L: 16.6607 
 
 Surface and Volume Properties
  Accessible surface: 502.021  Positive charged surface: 379.869  Negative charged surface: 122.152  Volume: 240.125
  Hydrophobic surface: 370.685  Hydrophilic surface: 131.336
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.