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DocumentationIdentifier: MM340473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340473 |
| SMILES |
CC(=N)NCC(CN)CN
|
| InChIKey |
KBKFVQACQVBKBU-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250652
Similarity: 0.8642
Similarity to MM250652
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9272 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317275
Similarity: 0.7216
Similarity to MM317275
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8383 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317078
Similarity: 0.7216
Similarity to MM317078
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8383 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
