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DocumentationIdentifier: MM225041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225041 |
| SMILES |
CCC(N)C=CC(C)(C)C
|
| InChIKey |
MAXVXEJBGKXZOU-UHFFFAOYSA-N
|
| MW [Da] |
141.26
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145386
Similarity: 0.8592
Similarity to MM145386
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130450
Similarity: 0.7606
Similarity to MM130450
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.864 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255329
Similarity: 0.7439
Similarity to MM255329
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+761 more
