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DocumentationIdentifier: MM381998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381998 |
| SMILES |
C#CC=C(CN)COC=C
|
| InChIKey |
SPKOJOHDMMBKNP-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM69520
Similarity: 0.8056
Similarity to MM69520
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199934
Similarity: 0.7963
Similarity to MM199934
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381955
Similarity: 0.7177
Similarity to MM381955
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8357 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
