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DocumentationIdentifier: MM214726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM214726 |
| SMILES |
NCCN=CNCCO
|
| InChIKey |
DLAIJKBSMGBMDQ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126009
Similarity: 0.8333
Similarity to MM126009
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214728
Similarity: 0.7759
Similarity to MM214728
| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.8738 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281424
Similarity: 0.7013
Similarity to MM281424
| Tanimoto metric | 0.7013 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.8244 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
