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DocumentationIdentifier: MM236693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236693 |
| SMILES |
C#CCCC(N)CC(=N)N
|
| InChIKey |
AWGOCIKWBDMTKM-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.05
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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MM135179
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| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8902 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236556
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Similarity to MM236556
| Tanimoto metric | 0.7264 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8415 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.83 |
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| AI: | 0
Total active interactions
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MM236628
Similarity: 0.6581
Similarity to MM236628
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7939 |
| Dice metric | 0.7938 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+521 more
