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DocumentationIdentifier: MM370812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370812 |
| SMILES |
C=C(CN)OCC#CCN
|
| InChIKey |
AGWKHEHOKKIIFX-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167705
Similarity: 0.8941
Similarity to MM167705
| Tanimoto metric | 0.8941 |
|---|---|
| Cosine metric | 0.9456 |
| Dice metric | 0.9441 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370814
Similarity: 0.8261
Similarity to MM370814
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9048 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371013
Similarity: 0.8105
Similarity to MM371013
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8953 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+519 more
