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DocumentationIdentifier: MM261880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261880 |
| SMILES |
CNC(=N)CC(N)CCF
|
| InChIKey |
ZPMFDKXFKKCMIS-UHFFFAOYSA-N
|
| MW [Da] |
147.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141971
Similarity: 0.7692
Similarity to MM141971
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135180
Similarity: 0.735
Similarity to MM135180
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328531
Similarity: 0.6547
Similarity to MM328531
| Tanimoto metric | 0.6547 |
|---|---|
| Cosine metric | 0.7914 |
| Dice metric | 0.7913 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
