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DocumentationIdentifier: MM446670
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446670 |
| SMILES |
CC#CC(=O)C1C(C)N1C
|
| InChIKey |
XMGUAGICRAAOEF-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM427497
Similarity: 0.845
Similarity to MM427497
| Tanimoto metric | 0.845 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.916 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM429049
Similarity: 0.7552
Similarity to MM429049
| Tanimoto metric | 0.7552 |
|---|---|
| Cosine metric | 0.8606 |
| Dice metric | 0.8605 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306378
Similarity: 0.7474
Similarity to MM306378
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8555 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
