Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM138330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138330 |
| SMILES |
CCCCC(C)(C)C=O
|
| InChIKey |
PGEITMLMCONAGQ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239702
Similarity: 0.9286
Similarity to MM239702
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227841
Similarity: 0.9286
Similarity to MM227841
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239594
Similarity: 0.9123
Similarity to MM239594
| Tanimoto metric | 0.9123 |
|---|---|
| Cosine metric | 0.9551 |
| Dice metric | 0.9541 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
