Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM280410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280410 |
| SMILES |
C=CCC(=C)CC=CC#N
|
| InChIKey |
LAUBXTJWWRQWQP-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168616
Similarity: 0.9118
Similarity to MM168616
| Tanimoto metric | 0.9118 |
|---|---|
| Cosine metric | 0.9549 |
| Dice metric | 0.9538 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419044
Similarity: 0.7381
Similarity to MM419044
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8493 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156913
Similarity: 0.7353
Similarity to MM156913
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
