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NCID-ZINC01767866

 MMsINC code: MMs02370335
Type: Ionized
Formula: C14H23O3-
SMILES:   O=C1CCCCCCCCCCC1CC(=O)[O-]
InChI:   InChI=1/C14H24O3/c15-13-10-8-6-4-2-1-3-5-7-9-12(13)11-14(16)17/h12H,1-11H2,(H,16,17)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=31.5433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.335 g/mol  logS: -3.85742  SlogP: 2.2263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226801  Sterimol/B1: 3.90037  Sterimol/B2: 4.51102  Sterimol/B3: 4.66645
  Sterimol/B4: 5.34445  Sterimol/L: 11.8413 
 
 Surface and Volume Properties
  Accessible surface: 444.524  Positive charged surface: 304.422  Negative charged surface: 140.102  Volume: 253.125
  Hydrophobic surface: 330.823  Hydrophilic surface: 113.701
 
 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:


MMs02370334
NCID-ZINC01767866