Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM138898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138898 |
| SMILES |
C=CC(C)(O)C=CC#N
|
| InChIKey |
BKBBCUSJQPIDKB-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28447
Similarity: 0.725
Similarity to MM28447
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227634
Similarity: 0.7018
Similarity to MM227634
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8247 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362936
Similarity: 0.7
Similarity to MM362936
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
