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DocumentationIdentifier: MM306262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306262 |
| SMILES |
C=C(C)C(=CCN)CCN
|
| InChIKey |
RFDWEAUQWAXIFP-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180378
Similarity: 0.8269
Similarity to MM180378
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296243
Similarity: 0.8
Similarity to MM296243
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91548
Similarity: 0.7355
Similarity to MM91548
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8477 |
| Dice metric | 0.8476 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
