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DocumentationIdentifier: MM439866
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439866 |
| SMILES |
C#CC(C)CC(O)CCC
|
| InChIKey |
NEOIJTQSISMAFJ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406983
Similarity: 0.9103
Similarity to MM406983
| Tanimoto metric | 0.9103 |
|---|---|
| Cosine metric | 0.9541 |
| Dice metric | 0.953 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397951
Similarity: 0.8161
Similarity to MM397951
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.8988 |
| Dice metric | 0.8987 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435083
Similarity: 0.809
Similarity to MM435083
| Tanimoto metric | 0.809 |
|---|---|
| Cosine metric | 0.8948 |
| Dice metric | 0.8944 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+555 more
