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DocumentationIdentifier: MM288335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288335 |
| SMILES |
C#CCC#CCCC(=O)O
|
| InChIKey |
FAMBNGRXTNIMGV-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153463
Similarity: 0.8824
Similarity to MM153463
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288293
Similarity: 0.8571
Similarity to MM288293
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9231 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
7-hydroxyhept-4-ynoic Acid
Similarity: 0.8333
Similarity to 7-hydroxyhept-4-ynoic Acid
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9091 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
