Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM280433
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280433 |
| SMILES |
C=CC=CNC(=O)CC#N
|
| InChIKey |
SZFSRMFFVQYMAO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46290
Similarity: 0.87
Similarity to MM46290
| Tanimoto metric | 0.87 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9305 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280325
Similarity: 0.7909
Similarity to MM280325
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70347
Similarity: 0.7909
Similarity to MM70347
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8834 |
| Dice metric | 0.8832 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
