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DocumentationIdentifier: MM293159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293159 |
| SMILES |
CNCC=CC(=O)C(C)C
|
| InChIKey |
NLVPLHWFCPZFOZ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM67914
Similarity: 0.8295
Similarity to MM67914
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295620
Similarity: 0.7327
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| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8457 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281862
Similarity: 0.7228
Similarity to MM281862
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8391 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+485 more
