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DocumentationIdentifier: MM302417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302417 |
| SMILES |
C#CCNCC1(C)NC1C
|
| InChIKey |
UTMCMZGGPKNMMU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM164745
Similarity: 0.8571
Similarity to MM164745
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302068
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Similarity to MM302068
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.902 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM427158
Similarity: 0.7829
Similarity to MM427158
| Tanimoto metric | 0.7829 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8782 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
