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DocumentationIdentifier: MM275545
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275545 |
| SMILES |
CC(C)CC(=NO)C(C)C
|
| InChIKey |
HRKQDTVUMLJVFH-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
2.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180294
Similarity: 0.8846
Similarity to MM180294
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150235
Similarity: 0.8205
Similarity to MM150235
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394343
Similarity: 0.7582
Similarity to MM394343
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8625 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
