Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM126196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126196 |
| SMILES |
C=CCCC=CC=O
|
| InChIKey |
PTWMQFJQDUYEGQ-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214033
Similarity: 0.95
Similarity to MM214033
| Tanimoto metric | 0.95 |
|---|---|
| Cosine metric | 0.9747 |
| Dice metric | 0.9744 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100872
Similarity: 0.8421
Similarity to MM100872
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450450
Similarity: 0.7917
Similarity to MM450450
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
