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DocumentationIdentifier: MM89197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89197 |
| SMILES |
C=C(C)NC(=N)CNCC
|
| InChIKey |
DHWZYKWSEDCXOI-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.7
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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MM135533
Similarity: 0.9192
Similarity to MM135533
| Tanimoto metric | 0.9192 |
|---|---|
| Cosine metric | 0.9587 |
| Dice metric | 0.9579 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7475 |
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| Cosine metric | 0.8646 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104580
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| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
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| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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