Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM223906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223906 |
| SMILES |
C=C(C(C)C#N)C(C)(C)C
|
| InChIKey |
LBTKPOZQOLORML-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351494
Similarity: 0.7778
Similarity to MM351494
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.875 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132119
Similarity: 0.7738
Similarity to MM132119
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137881
Similarity: 0.7553
Similarity to MM137881
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8606 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
