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DocumentationIdentifier: MM263591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263591 |
| SMILES |
C=CC(=N)NC(=C)CCN
|
| InChIKey |
QIFATUHBSRMQIF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263694
Similarity: 0.75
Similarity to MM263694
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236905
Similarity: 0.7037
Similarity to MM236905
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8261 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263092
Similarity: 0.7021
Similarity to MM263092
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.825 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+359 more
