Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM234423
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234423 |
| SMILES |
C=CC#CC(C)(O)CC#N
|
| InChIKey |
BFATWXADEGDZRK-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40420
Similarity: 0.8246
Similarity to MM40420
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59198
Similarity: 0.748
Similarity to MM59198
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8559 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139026
Similarity: 0.7368
Similarity to MM139026
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
