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CHEMBRIDGE-ZINC02018156

 MMsINC code: MMs00700475
Type: Ionized
Formula: C10H18NO5-
SMILES:   OC(C(CO)(C)C)C(=O)NCCCC(=O)[O-]
InChI:   InChI=1/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=24.0081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.256 g/mol  logS: -0.30332  SlogP: -1.9879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108065  Sterimol/B1: 2.56746  Sterimol/B2: 3.39512  Sterimol/B3: 4.60533
  Sterimol/B4: 4.61993  Sterimol/L: 13.6832 
 
 Surface and Volume Properties
  Accessible surface: 446.857  Positive charged surface: 281.979  Negative charged surface: 164.879  Volume: 219.375
  Hydrophobic surface: 214.296  Hydrophilic surface: 232.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00700474
CHEMBRIDGE-ZINC02018156