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IBS-ZINC02108714

 MMsINC code: MMs01787039
Type: Ionized
Formula: C10H18NO4-
SMILES:   O=C([O-])C([NH3+])CCCCCCCC(=O)[O-]
InChI:   InChI=1/C10H19NO4/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8H,1-7,11H2,(H,12,13)(H,14,15)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=9.90002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.257 g/mol  logS: -1.80298  SlogP: -2.1726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364323  Sterimol/B1: 2.70134  Sterimol/B2: 3.03162  Sterimol/B3: 3.18051
  Sterimol/B4: 4.09951  Sterimol/L: 16.8917 
 
 Surface and Volume Properties
  Accessible surface: 467.88  Positive charged surface: 312.663  Negative charged surface: 155.217  Volume: 211.25
  Hydrophobic surface: 228.056  Hydrophilic surface: 239.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 1
  Chiral centers: 1
 
 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:


MMs01787038
IBS-ZINC02108714