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DocumentationIdentifier: MM107870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107870 |
| SMILES |
CCC=C(C)CC#N
|
| InChIKey |
XGKADMBRNINVLN-UHFFFAOYSA-N
|
| MW [Da] |
109.17
Automatically obtained from RDkit software. |
| LogP |
2.26
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 | 0.9245 |
|---|---|
| Cosine metric | 0.9615 |
| Dice metric | 0.9608 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8431 |
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| Cosine metric | 0.9157 |
| Dice metric | 0.9149 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM159587
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| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9113 |
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| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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