Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM239736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239736 |
| SMILES |
C=COCCC(C)(C)C=O
|
| InChIKey |
NHGGLUFFNAAEDW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166089
Similarity: 0.8205
Similarity to MM166089
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138357
Similarity: 0.8077
Similarity to MM138357
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239635
Similarity: 0.7326
Similarity to MM239635
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8456 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+556 more
