Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM53623
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53623 |
| SMILES |
CN(C)C(C#N)C=CCO
|
| InChIKey |
IMXDMIAXLAETLV-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51606
Similarity: 0.6875
Similarity to MM51606
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8148 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39753
Similarity: 0.6772
Similarity to MM39753
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.8075 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163148
Similarity: 0.6727
Similarity to MM163148
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
