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DocumentationIdentifier: MM144802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144802 |
| SMILES |
C=C(CN)CCC(=N)N
|
| InChIKey |
OAXTVLXHUWDGHI-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM255211
Similarity: 0.79
Similarity to MM255211
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251046
Similarity: 0.7822
Similarity to MM251046
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96309
Similarity: 0.7383
Similarity to MM96309
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8495 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
