Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM376050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376050 |
| SMILES |
C=C(CC#CCNC)OC
|
| InChIKey |
OAKZWHRJMHKNDI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169235
Similarity: 0.8652
Similarity to MM169235
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281095
Similarity: 0.7333
Similarity to MM281095
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8462 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113798
Similarity: 0.6742
Similarity to MM113798
| Tanimoto metric | 0.6742 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8054 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
