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DocumentationIdentifier: MM149428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149428 |
| SMILES |
CC1C(C(=O)CC#N)N1C
|
| InChIKey |
CJZYRYYNNTUCJB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.17
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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| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8218 |
| Dice metric | 0.8218 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
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|---|---|---|---|---|---|
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Total active interactions
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MM265650
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| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8176 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
