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DocumentationIdentifier: MM451105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451105 |
| SMILES |
CCNCCC=CCNC
|
| InChIKey |
HUMYXSNIENHTKD-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM448625
Similarity: 0.9273
Similarity to MM448625
| Tanimoto metric | 0.9273 |
|---|---|
| Cosine metric | 0.9624 |
| Dice metric | 0.9623 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213562
Similarity: 0.9231
Similarity to MM213562
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455912
Similarity: 0.8727
Similarity to MM455912
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.932 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+794 more
