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BACHEM-ZINC02575481

 MMsINC code: MMs00484516
Type: Ionized
Formula: C11H20NO4-
SMILES:   O(C(C)(C)C)C(=O)NCCCCCC(=O)[O-]
InChI:   InChI=1/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=-6.14817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.284 g/mol  logS: -1.56508  SlogP: 0.8214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433404  Sterimol/B1: 2.39958  Sterimol/B2: 2.76226  Sterimol/B3: 4.26816
  Sterimol/B4: 4.89544  Sterimol/L: 17.3362 
 
 Surface and Volume Properties
  Accessible surface: 506.814  Positive charged surface: 351.692  Negative charged surface: 155.123  Volume: 234.125
  Hydrophobic surface: 311.35  Hydrophilic surface: 195.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs00484515
BACHEM-ZINC02575481