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SIAL-ZINC04823229

 MMsINC code: MMs03926012
Type: Ionized
Formula: C10H17O3-
SMILES:   O=C(CCCCC(C(=O)[O-])C)CC
InChI:   InChI=1/C10H18O3/c1-3-9(11)7-5-4-6-8(2)10(12)13/h8H,3-7H2,1-2H3,(H,12,13)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=12.0375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.243 g/mol  logS: -1.27168  SlogP: 0.9119  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0449466  Sterimol/B1: 2.90922  Sterimol/B2: 3.05311  Sterimol/B3: 3.52273
  Sterimol/B4: 3.67819  Sterimol/L: 15.2632 
 
 Surface and Volume Properties
  Accessible surface: 431.895  Positive charged surface: 288.08  Negative charged surface: 143.816  Volume: 195.5
  Hydrophobic surface: 278.344  Hydrophilic surface: 153.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  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:


MMs03926011
SIAL-ZINC04823229