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PUBCHEM-ZINC07010644

 MMsINC code: MMs03910190
Type: Ionized
Formula: C16H26NO4-
SMILES:   O1CCCC1CNC(=O)C1(CCC(C(=O)[O-])(C)C1(C)C)C
InChI:   InChI=1/C16H27NO4/c1-14(2)15(3,7-8-16(14,4)13(19)20)12(18)17-10-11-6-5-9-21-11/h11H,5-10H2,1-4H3,(H,17,18)(H,19,20)/p-1/t11-,15+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=60.82 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.387 g/mol  logS: -2.41551  SlogP: 0.8641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15676  Sterimol/B1: 2.08265  Sterimol/B2: 4.85092  Sterimol/B3: 4.9234
  Sterimol/B4: 5.95545  Sterimol/L: 14.0595 
 
 Surface and Volume Properties
  Accessible surface: 511.215  Positive charged surface: 368.7  Negative charged surface: 142.515  Volume: 296.25
  Hydrophobic surface: 383.919  Hydrophilic surface: 127.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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:


MMs03910189
PUBCHEM-ZINC07010644