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DocumentationIdentifier: MM245517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245517 |
| SMILES |
C#CC(C)CC(C)C(=N)N
|
| InChIKey |
ISIBPOMKSSNIJF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162344
Similarity: 0.8119
Similarity to MM162344
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133614
Similarity: 0.7228
Similarity to MM133614
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235281
Similarity: 0.6885
Similarity to MM235281
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8155 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
