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DocumentationIdentifier: MM370540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370540 |
| SMILES |
CC=CCOC=C(C)C#N
|
| InChIKey |
PBHZFCYDSJUTLG-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171226
Similarity: 0.8961
Similarity to MM171226
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM440319
Similarity: 0.8118
Similarity to MM440319
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8961 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370544
Similarity: 0.7582
Similarity to MM370544
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8625 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
