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DocumentationIdentifier: MM418431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM418431 |
| SMILES |
CC=C(CN)NC=NCC
|
| InChIKey |
SLMPDZKJJBFLMR-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92573
Similarity: 0.8788
Similarity to MM92573
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168945
Similarity: 0.7374
Similarity to MM168945
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383123
Similarity: 0.725
Similarity to MM383123
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8406 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
