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DocumentationIdentifier: MM113520
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113520 |
| SMILES |
CC=CCN(C)CC
|
| InChIKey |
JMBHWLKQSWORJX-UHFFFAOYSA-N
|
| MW [Da] |
113.2
Automatically obtained from RDkit software. |
| LogP |
1.51
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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MM199486
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| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8936 |
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| Cosine metric | 0.9453 |
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| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372429
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Similarity to MM372429
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
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| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+520 more
