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NCID-ZINC01610426

 MMsINC code: MMs02261248
Type: Neutral
Formula: C13H26O3
SMILES:   OC(=O)CCCCCCCCCCCCO
InChI:   InChI=1/C13H26O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h14H,1-12H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=-2.21249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.348 g/mol  logS: -3.47761  SlogP: 3.3544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169379  Sterimol/B1: 2.37497  Sterimol/B2: 2.37585  Sterimol/B3: 2.92379
  Sterimol/B4: 3.00811  Sterimol/L: 21.5633 
 
 Surface and Volume Properties
  Accessible surface: 546.629  Positive charged surface: 433.108  Negative charged surface: 113.521  Volume: 257.125
  Hydrophobic surface: 394.018  Hydrophilic surface: 152.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02261249
NCID-ZINC01610426