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DocumentationIdentifier: MM91958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91958 |
| SMILES |
COC(=O)CCC#CCO
|
| InChIKey |
LKLBKAVTWRIKRX-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
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: 0.8851
Similarity to MM167700
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371003
Similarity: 0.7857
Similarity to MM371003
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.88 |
| Dice metric | 0.88 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275625
Similarity: 0.7634
Similarity to MM275625
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8659 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
