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DocumentationIdentifier: MM377913
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377913 |
| SMILES |
C=CC(C=CCO)NCC
|
| InChIKey |
HSRPRJADILXGSF-UHFFFAOYSA-N
|
| MW [Da] |
141.21
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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MM47696
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| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8046 |
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| Cosine metric | 0.897 |
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| MW: | 129.2 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
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|---|---|---|---|---|---|
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Total active interactions
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MM378567
Similarity: 0.7849
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| Tanimoto metric | 0.7849 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8795 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
