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DocumentationIdentifier: MM107455
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107455 |
| SMILES |
C=C(CC#N)OC=O
|
| InChIKey |
NONOVJRMIFUXCX-UHFFFAOYSA-N
|
| MW [Da] |
111.1
Automatically obtained from RDkit software. |
| LogP |
0.59
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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MM98106
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Similarity to MM98106
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.701 |
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| Cosine metric | 0.8373 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304437
Similarity: 0.5965
Similarity to MM304437
| Tanimoto metric | 0.5965 |
|---|---|
| Cosine metric | 0.7723 |
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| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
