Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM240459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240459 |
| SMILES |
C=CC(C)(C)CC=CCC
|
| InChIKey |
RCJLDEUVUXBXHO-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138617
Similarity: 0.9
Similarity to MM138617
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240540
Similarity: 0.7714
Similarity to MM240540
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.871 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168245
Similarity: 0.7667
Similarity to MM168245
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
