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DocumentationIdentifier: MM456375
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456375 |
| SMILES |
CCCCC=CN=CNC
|
| InChIKey |
PZNNZSBFVZKHRQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215288
Similarity: 0.8769
Similarity to MM215288
| Tanimoto metric | 0.8769 |
|---|---|
| Cosine metric | 0.9364 |
| Dice metric | 0.9344 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452647
Similarity: 0.7632
Similarity to MM452647
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8661 |
| Dice metric | 0.8657 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126290
Similarity: 0.7231
Similarity to MM126290
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8393 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
