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DocumentationIdentifier: MM142140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142140 |
| SMILES |
C=CC(=N)NC(C)CC
|
| InChIKey |
HEDNJKYAXUXALI-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.54
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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MM328945
Similarity: 0.8969
Similarity to MM328945
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8208 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262273
Similarity: 0.8131
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| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
