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DocumentationIdentifier: MM133957
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133957 |
| SMILES |
C=C(C)C(=C)CC(C)N
|
| InChIKey |
BOMJFDGDUJSISM-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269616
Similarity: 0.8302
Similarity to MM269616
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246581
Similarity: 0.8224
Similarity to MM246581
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9069 |
| Dice metric | 0.9026 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM95330
Similarity: 0.8073
Similarity to MM95330
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
