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DocumentationIdentifier: MM314625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314625 |
| SMILES |
C=C(C)CCNC=O
|
| InChIKey |
ZMECEQAWGNFKJQ-UHFFFAOYSA-N
|
| MW [Da] |
113.16
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 |
Similar entries
MM317077
Similarity: 0.8088
Similarity to MM317077
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166590
Similarity: 0.7746
Similarity to MM166590
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313078
Similarity: 0.7639
Similarity to MM313078
| Tanimoto metric | 0.7639 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8661 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
