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DocumentationIdentifier: MM297942
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297942 |
| SMILES |
CC(=O)NCC=C(C)C
|
| InChIKey |
HMFQZRAOCARFRS-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM33481
Similarity: 0.7846
Similarity to MM33481
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260933
Similarity: 0.7471
Similarity to MM260933
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64492
Similarity: 0.7303
Similarity to MM64492
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
