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DocumentationIdentifier: MM155883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155883 |
| SMILES |
CNCCC(C)NC=N
|
| InChIKey |
GGYNIBPWFTVOCL-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107214
Similarity: 0.8413
Similarity to MM107214
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250580
Similarity: 0.8182
Similarity to MM250580
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135131
Similarity: 0.7215
Similarity to MM135131
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8382 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
