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NCID-ZINC01719225

 MMsINC code: MMs02344404
Type: Ionized
Formula: C10H17O4-
SMILES:   O(C(=O)CCCCC(=O)[O-])CCCC
InChI:   InChI=1/C10H18O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h2-8H2,1H3,(H,11,12)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.96877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.242 g/mol  logS: -1.46658  SlogP: 0.64  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0224779  Sterimol/B1: 2.3771  Sterimol/B2: 2.41085  Sterimol/B3: 3.02413
  Sterimol/B4: 4.21099  Sterimol/L: 17.6652 
 
 Surface and Volume Properties
  Accessible surface: 468.245  Positive charged surface: 323.197  Negative charged surface: 145.049  Volume: 204.5
  Hydrophobic surface: 305.155  Hydrophilic surface: 163.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs02344403
NCID-ZINC01719225