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DocumentationIdentifier: MM55214
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55214 |
| SMILES |
C#CC(N)C(C=C)OC
|
| InChIKey |
KSBCPYIQEBQGFW-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56474
Similarity: 0.7229
Similarity to MM56474
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73006
Similarity: 0.675
Similarity to MM73006
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57631
Similarity: 0.6742
Similarity to MM57631
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
