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DocumentationIdentifier: MM452647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452647 |
| SMILES |
CCCC=CN=CNCC
|
| InChIKey |
VVALHDCILKZHMJ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.94
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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MM215288
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| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM456375
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| Tanimoto metric | 0.7632 |
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| Cosine metric | 0.8661 |
| Dice metric | 0.8657 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452771
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| Tanimoto metric | 0.7468 |
|---|---|
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| Dice metric | 0.8551 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+89 more
