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DocumentationIdentifier: MM296405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296405 |
| SMILES |
C=CCC(=C)C(C)=CCN
|
| InChIKey |
LYBBDTBJWIILOA-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175435
Similarity: 0.7757
Similarity to MM175435
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174893
Similarity: 0.7477
Similarity to MM174893
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8556 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296241
Similarity: 0.725
Similarity to MM296241
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8406 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
