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DocumentationIdentifier: MM79213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79213 |
| SMILES |
CNC(C)C(O)C=C(C)C
|
| InChIKey |
SVOWHUVBMUCWGT-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73350
Similarity: 0.7419
Similarity to MM73350
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355172
Similarity: 0.7305
Similarity to MM355172
| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8443 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79199
Similarity: 0.7075
Similarity to MM79199
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8287 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
