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DocumentationIdentifier: MM442377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442377 |
| SMILES |
C#CC#CC1CN1CC=C
|
| InChIKey |
LKPWYBBETQWQQB-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194954
Similarity: 0.8599
Similarity to MM194954
| Tanimoto metric | 0.8599 |
|---|---|
| Cosine metric | 0.9273 |
| Dice metric | 0.9247 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217357
Similarity: 0.8153
Similarity to MM217357
| Tanimoto metric | 0.8153 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442301
Similarity: 0.7727
Similarity to MM442301
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8718 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
