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DocumentationIdentifier: MM325126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325126 |
| SMILES |
CC(C#N)NCC1(C)CC1
|
| InChIKey |
LVAFZAAEOSFDHI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM176196
Similarity: 0.8137
Similarity to MM176196
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.8973 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM208995
Similarity: 0.8039
Similarity to MM208995
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149489
Similarity: 0.7549
Similarity to MM149489
| Tanimoto metric | 0.7549 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8603 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
