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DocumentationIdentifier: MM77081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77081 |
| SMILES |
C=CC=CC(=N)NCC#N
|
| InChIKey |
QNHFTVZDLYEZAE-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83000
Similarity: 0.8421
Similarity to MM83000
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49671
Similarity: 0.7339
Similarity to MM49671
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8466 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79857
Similarity: 0.7232
Similarity to MM79857
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8394 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
