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DocumentationIdentifier: MM302588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302588 |
| SMILES |
C=C(CCCCN)C(=N)N
|
| InChIKey |
MMNXVAISXQPZRP-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162594
Similarity: 0.9158
Similarity to MM162594
| Tanimoto metric | 0.9158 |
|---|---|
| Cosine metric | 0.957 |
| Dice metric | 0.956 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302824
Similarity: 0.8544
Similarity to MM302824
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9215 |
| Dice metric | 0.9215 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302586
Similarity: 0.8462
Similarity to MM302586
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9167 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
