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IBS-ZINC02108713

 MMsINC code: MMs01787037
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-/m0/s1

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Potential Energy
Epot(MMFF94)=9.89981 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: 0.0364484  Sterimol/B1: 2.70239  Sterimol/B2: 3.03217  Sterimol/B3: 3.18035
  Sterimol/B4: 4.0988  Sterimol/L: 16.8934 
 
 Surface and Volume Properties
  Accessible surface: 468.85  Positive charged surface: 314.691  Negative charged surface: 154.159  Volume: 211.125
  Hydrophobic surface: 228.759  Hydrophilic surface: 240.091
 
 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:


MMs01787036
IBS-ZINC02108713