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ACROSORGANICS-ZINC01530303

 MMsINC code: MMs00008907
Type: Neutral
Formula: C9H19NO4
SMILES:   OC(C(CO)(C)C)C(=O)NCCCO
InChI:   InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.254 g/mol  logS: 0.03743  SlogP: -1.1356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133837  Sterimol/B1: 2.42801  Sterimol/B2: 2.6181  Sterimol/B3: 4.80697
  Sterimol/B4: 5.39243  Sterimol/L: 13.2556 
 
 Surface and Volume Properties
  Accessible surface: 422.237  Positive charged surface: 311.409  Negative charged surface: 110.828  Volume: 200.5
  Hydrophobic surface: 220.992  Hydrophilic surface: 201.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.