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DocumentationIdentifier: MM70990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70990 |
| SMILES |
NC=CC(=O)C=COC=O
|
| InChIKey |
DIJQUYUKAVCAMC-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM46848
Similarity: 0.8261
Similarity to MM46848
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282390
Similarity: 0.7429
Similarity to MM282390
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8525 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282412
Similarity: 0.7379
Similarity to MM282412
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8492 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
