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DocumentationIdentifier: MM328955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328955 |
| SMILES |
C=CC(=N)NC(CN)CN
|
| InChIKey |
ZDJKGVMGNNRLNF-UHFFFAOYSA-N
|
| MW [Da] |
142.21
Automatically obtained from RDkit software. |
| LogP |
-0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264317
Similarity: 0.7565
Similarity to MM264317
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8614 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149928
Similarity: 0.7292
Similarity to MM149928
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264318
Similarity: 0.725
Similarity to MM264318
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8406 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
