Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM379802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379802 |
| SMILES |
C=CC#CC(CC)NC=O
|
| InChIKey |
QARIREHJAAYRJN-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178360
Similarity: 0.7909
Similarity to MM178360
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75084
Similarity: 0.7121
Similarity to MM75084
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8319 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158420
Similarity: 0.7091
Similarity to MM158420
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8298 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
