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DocumentationIdentifier: MM371003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371003 |
| SMILES |
C#CC#CCCC(=O)OC
|
| InChIKey |
OMTWTJAXCOQNKV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167700
Similarity: 0.875
Similarity to MM167700
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91958
Similarity: 0.7857
Similarity to MM91958
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370914
Similarity: 0.7549
Similarity to MM370914
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8603 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
