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DocumentationIdentifier: MM301592
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301592 |
| SMILES |
CCCNC(=O)C=C(N)N
|
| InChIKey |
MFVLEHWYEYJWOO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.73
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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MM298579
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| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM296040
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8335 |
| Dice metric | 0.8333 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
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| AI: | 0
Total active interactions
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MM281758
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| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8205 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
