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NCID-ZINC01672475

 MMsINC code: MMs02308526
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(C(C(OCC)=O)C)C1CCCCC1)C(=O)C
InChI:   InChI=1/C14H24O4/c1-4-17-14(16)10(2)13(18-11(3)15)12-8-6-5-7-9-12/h10,12-13H,4-9H2,1-3H3/t10-,13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -2.99951  SlogP: 2.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904238  Sterimol/B1: 2.96323  Sterimol/B2: 3.57528  Sterimol/B3: 3.76823
  Sterimol/B4: 7.2569  Sterimol/L: 14.8954 
 
 Surface and Volume Properties
  Accessible surface: 510.078  Positive charged surface: 375.628  Negative charged surface: 134.451  Volume: 264
  Hydrophobic surface: 424.437  Hydrophilic surface: 85.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.