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PUBCHEM-ZINC05113048

 MMsINC code: MMs03201438
Type: Ionized
Formula: C9H16NO4-
SMILES:   O=C([O-])C([NH3+])CCCCCCC(=O)[O-]
InChI:   InChI=1/C9H17NO4/c10-7(9(13)14)5-3-1-2-4-6-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=9.74221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.23 g/mol  logS: -1.28776  SlogP: -2.5627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519436  Sterimol/B1: 2.84305  Sterimol/B2: 3.06615  Sterimol/B3: 3.12769
  Sterimol/B4: 4.07306  Sterimol/L: 15.2078 
 
 Surface and Volume Properties
  Accessible surface: 431.295  Positive charged surface: 278.545  Negative charged surface: 152.751  Volume: 193.5
  Hydrophobic surface: 194.449  Hydrophilic surface: 236.846
 
 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:


MMs03201437
PUBCHEM-ZINC05113048