Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM200096
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200096 |
| SMILES |
C=CC(=NC)NCCO
|
| InChIKey |
JTAGMFFNQQQLRM-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88710
Similarity: 0.7807
Similarity to MM88710
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342108
Similarity: 0.7236
Similarity to MM342108
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8506 |
| Dice metric | 0.8396 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113320
Similarity: 0.7079
Similarity to MM113320
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.8289 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+424 more
