Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM330167
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330167 |
| SMILES |
C=CC(C#N)CC(=C)CC
|
| InChIKey |
CKWXSUYPTMSSBD-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150115
Similarity: 0.79
Similarity to MM150115
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8888 |
| Dice metric | 0.8827 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142202
Similarity: 0.72
Similarity to MM142202
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262786
Similarity: 0.6909
Similarity to MM262786
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8172 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+248 more
