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DocumentationIdentifier: MM446019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446019 |
| SMILES |
CC1C(CC#CCN)N1C
|
| InChIKey |
IJKNKMNYOKZWMR-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
MM446015
Similarity: 0.9108
Similarity to MM446015
| Tanimoto metric | 0.9108 |
|---|---|
| Cosine metric | 0.9539 |
| Dice metric | 0.9533 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212641
Similarity: 0.9097
Similarity to MM212641
| Tanimoto metric | 0.9097 |
|---|---|
| Cosine metric | 0.9538 |
| Dice metric | 0.9527 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446132
Similarity: 0.8304
Similarity to MM446132
| Tanimoto metric | 0.8304 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.9073 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
