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DocumentationIdentifier: MM293762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293762 |
| SMILES |
C=C(C)C(N)C=CC#CC
|
| InChIKey |
WHIJELWEKRJPKB-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163338
Similarity: 0.8544
Similarity to MM163338
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356517
Similarity: 0.6929
Similarity to MM356517
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8186 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68054
Similarity: 0.6822
Similarity to MM68054
| Tanimoto metric | 0.6822 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.8111 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+381 more
