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DocumentationIdentifier: MM243074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243074 |
| SMILES |
C=CCC(C)(CN)CC=C
|
| InChIKey |
GOJZXWPMGDTUMC-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139265
Similarity: 0.942
Similarity to MM139265
| Tanimoto metric | 0.942 |
|---|---|
| Cosine metric | 0.9706 |
| Dice metric | 0.9701 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312415
Similarity: 0.8025
Similarity to MM312415
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.8904 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309814
Similarity: 0.7558
Similarity to MM309814
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8609 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+512 more
