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DocumentationIdentifier: MM276684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276684 |
| SMILES |
CC1C(C#N)N1C(C)(C)C
|
| InChIKey |
GJIPHZGLZBLDJL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
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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MM151849
Similarity: 0.7517
Similarity to MM151849
| Tanimoto metric | 0.7517 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8582 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM127461
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| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.845 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM277285
Similarity: 0.7229
Similarity to MM277285
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8392 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+134 more
