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PUBCHEM-ZINC05649357

 MMsINC code: MMs03335434
Type: Ionized
Formula: C16H28NO5-
SMILES:   O(C(C(CC)CNC(=O)CCC)CCC)C(=O)CCC(=O)[O-]
InChI:   InChI=1/C16H29NO5/c1-4-7-13(22-16(21)10-9-15(19)20)12(6-3)11-17-14(18)8-5-2/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)/p-1/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=1.63604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.402 g/mol  logS: -2.87872  SlogP: 1.1709  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.15807  Sterimol/B1: 2.31853  Sterimol/B2: 2.55535  Sterimol/B3: 6.84399
  Sterimol/B4: 10.1051  Sterimol/L: 17.1306 
 
 Surface and Volume Properties
  Accessible surface: 637.679  Positive charged surface: 432.319  Negative charged surface: 205.359  Volume: 325.25
  Hydrophobic surface: 407.852  Hydrophilic surface: 229.827
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03335433
PUBCHEM-ZINC05649357