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DocumentationIdentifier: MM100662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100662 |
| SMILES |
N=CNCCCN
|
| InChIKey |
MWMFVKHSHOJGLF-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125575
Similarity: 0.8889
Similarity to MM125575
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125769
Similarity: 0.7619
Similarity to MM125769
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112651
Similarity: 0.6957
Similarity to MM112651
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8205 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
