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DocumentationIdentifier: MM433148
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433148 |
| SMILES |
CC=CC#CC(CC)NC
|
| InChIKey |
ZBMLCILZBXPTDH-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201208
Similarity: 0.8485
Similarity to MM201208
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170730
Similarity: 0.7273
Similarity to MM170730
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379794
Similarity: 0.7203
Similarity to MM379794
| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8374 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
