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DocumentationIdentifier: MM202867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202867 |
| SMILES |
NCCCC1(CN)CN1
|
| InChIKey |
MJCSXNIWORSCGM-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM425633
Similarity: 0.9237
Similarity to MM425633
| Tanimoto metric | 0.9237 |
|---|---|
| Cosine metric | 0.9611 |
| Dice metric | 0.9603 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9264 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM117461
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| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
