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DocumentationIdentifier: MM450358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450358 |
| SMILES |
C=CC=CCOC=CCC
|
| InChIKey |
OWALZRFJPNRVPU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214051
Similarity: 0.8793
Similarity to MM214051
| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452443
Similarity: 0.8254
Similarity to MM452443
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9044 |
| Dice metric | 0.9043 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215019
Similarity: 0.8
Similarity to MM215019
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8913 |
| Dice metric | 0.8889 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+827 more
