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DocumentationIdentifier: MM44801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44801 |
| SMILES |
COCCC(C#N)N(C)C
|
| InChIKey |
LFKYZOKJVSFQBM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.48
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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MM45136
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Similarity to MM45136
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281679
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402889
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Similarity to MM402889
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8337 |
| Dice metric | 0.8333 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
