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DocumentationIdentifier: MM269616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269616 |
| SMILES |
C=CC(=C)C(=C)CC(C)N
|
| InChIKey |
NJCVRJVITWYIHA-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
MM133957
Similarity: 0.8302
Similarity to MM133957
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246581
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Similarity to MM246581
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8638 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM75593
Similarity: 0.7419
Similarity to MM75593
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8519 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
