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DocumentationIdentifier: MM448625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448625 |
| SMILES |
C=CCNCCC=CCN
|
| InChIKey |
UXRGNJIPTFNZFW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
0.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451105
Similarity: 0.9273
Similarity to MM451105
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.9624 |
| Dice metric | 0.9623 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213349
Similarity: 0.9074
Similarity to MM213349
| Tanimoto metric | 0.9074 |
|---|---|
| Cosine metric | 0.9526 |
| Dice metric | 0.9515 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448786
Similarity: 0.8947
Similarity to MM448786
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9444 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+717 more
