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PUBCHEM-ZINC04600265

 MMsINC code: MMs03140293
Type: Ionized
Formula: C15H26NO4-
SMILES:   O(CCCC)CCCNC(=O)C1CCCCC1C(=O)[O-]
InChI:   InChI=1/C15H27NO4/c1-2-3-10-20-11-6-9-16-14(17)12-7-4-5-8-13(12)15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)/p-1/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=-4.34058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.376 g/mol  logS: -2.50379  SlogP: 0.8657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400623  Sterimol/B1: 2.91216  Sterimol/B2: 3.57677  Sterimol/B3: 3.81966
  Sterimol/B4: 5.69434  Sterimol/L: 18.7001 
 
 Surface and Volume Properties
  Accessible surface: 579.84  Positive charged surface: 442.864  Negative charged surface: 136.975  Volume: 291.875
  Hydrophobic surface: 461.797  Hydrophilic surface: 118.043
 
 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:


MMs03140292
PUBCHEM-ZINC04600265