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PEPTECH-ZINC02509835

 MMsINC code: MMs02616588
Type: Ionized
Formula: C13H24NO4-
SMILES:   O(C(C)(C)C)C(=O)NC(CCC)(CCC)C(=O)[O-]
InChI:   InChI=1/C13H25NO4/c1-6-8-13(9-7-2,10(15)16)14-11(17)18-12(3,4)5/h6-9H2,1-5H3,(H,14,17)(H,15,16)/p-1

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Potential Energy
Epot(MMFF94)=30.8731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.338 g/mol  logS: -3.16625  SlogP: 1.6  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13091  Sterimol/B1: 2.61755  Sterimol/B2: 2.9435  Sterimol/B3: 5.59255
  Sterimol/B4: 7.16478  Sterimol/L: 14.1991 
 
 Surface and Volume Properties
  Accessible surface: 524.97  Positive charged surface: 351.282  Negative charged surface: 173.688  Volume: 268.125
  Hydrophobic surface: 338.668  Hydrophilic surface: 186.302
 
 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:


MMs02616587
PEPTECH-ZINC02509835