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DocumentationIdentifier: MM217039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217039 |
| SMILES |
C#CC1CN1CC#CC
|
| InChIKey |
SYSCGOSRCMKJPE-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447945
Similarity: 0.9322
Similarity to MM447945
| Tanimoto metric | 0.9322 |
|---|---|
| Cosine metric | 0.9655 |
| Dice metric | 0.9649 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447947
Similarity: 0.9322
Similarity to MM447947
| Tanimoto metric | 0.9322 |
|---|---|
| Cosine metric | 0.9655 |
| Dice metric | 0.9649 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447975
Similarity: 0.9244
Similarity to MM447975
| Tanimoto metric | 0.9244 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9607 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
