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DocumentationIdentifier: MM158996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158996 |
| SMILES |
C=CCOC(C)=CC#N
|
| InChIKey |
GCBDKDARSCPDQA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
1.62
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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MM283796
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Similarity to MM283796
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7922 |
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| Cosine metric | 0.8901 |
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| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382538
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| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8731 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
