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BACHEM-ZINC02554979

 MMsINC code: MMs00483568
Type: Ionized
Formula: C10H18NO4-
SMILES:   O(C(C)(C)C)C(=O)NCCCCC(=O)[O-]
InChI:   InChI=1/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=-7.46445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.257 g/mol  logS: -1.36331  SlogP: 0.4313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538594  Sterimol/B1: 2.38373  Sterimol/B2: 2.78053  Sterimol/B3: 4.21352
  Sterimol/B4: 4.91409  Sterimol/L: 16.0044 
 
 Surface and Volume Properties
  Accessible surface: 473.894  Positive charged surface: 322.655  Negative charged surface: 151.239  Volume: 216.375
  Hydrophobic surface: 278.904  Hydrophilic surface: 194.99
 
 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:


MMs00483567
BACHEM-ZINC02554979