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DocumentationIdentifier: MM266437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266437 |
| SMILES |
C=CCC(N)C=C(C)OC
|
| InChIKey |
ICCDMEMHUFBGOE-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
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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MM143322
Similarity: 0.8291
Similarity to MM143322
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266392
Similarity: 0.7153
Similarity to MM266392
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.834 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247351
Similarity: 0.6978
Similarity to MM247351
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.822 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+453 more
