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DocumentationIdentifier: MM246294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246294 |
| SMILES |
C=C(CN)NC(=N)C(C)C
|
| InChIKey |
MQZZFEYZGDIXSZ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142583
Similarity: 0.816
Similarity to MM142583
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.8987 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133897
Similarity: 0.768
Similarity to MM133897
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269303
Similarity: 0.6387
Similarity to MM269303
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7795 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
