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DocumentationIdentifier: MM126009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126009 |
| SMILES |
CCN=CNCCO
|
| InChIKey |
GOQWMVCYTKDQPQ-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214728
Similarity: 0.9184
Similarity to MM214728
| Tanimoto metric | 0.9184 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9574 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214726
Similarity: 0.8333
Similarity to MM214726
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM100756
Similarity: 0.8222
Similarity to MM100756
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
