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DocumentationIdentifier: MM154878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154878 |
| SMILES |
CC(C)=COCCC#N
|
| InChIKey |
VTZHPWDNKVWUKR-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.84
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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| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9074 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM370212
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| Cosine metric | 0.8869 |
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| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369968
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Similarity to MM369968
| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+853 more
