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DocumentationIdentifier: MM261500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261500 |
| SMILES |
CC(CCF)CC(O)C#N
|
| InChIKey |
LMRSTFSUUZAVLA-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141624
Similarity: 0.7449
Similarity to MM141624
| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8538 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326124
Similarity: 0.7184
Similarity to MM326124
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8362 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326132
Similarity: 0.7143
Similarity to MM326132
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8333 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
