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DocumentationIdentifier: MM134013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM134013 |
| SMILES |
C=C(C)CC(=C)C(=N)N
|
| InChIKey |
IJLCCUBMCNARNF-UHFFFAOYSA-N
|
| MW [Da] |
124.19
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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MM246783
Similarity: 0.9091
Similarity to MM246783
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246947
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| Tanimoto metric | 0.7874 |
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| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247233
Similarity: 0.7692
Similarity to MM247233
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+169 more
