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DocumentationIdentifier: MM437006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437006 |
| SMILES |
CCC(=CCNC=O)CN
|
| InChIKey |
GXIMVKAFLVOBOX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80574
Similarity: 0.8022
Similarity to MM80574
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294897
Similarity: 0.7685
Similarity to MM294897
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8691 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310233
Similarity: 0.7363
Similarity to MM310233
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8481 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+527 more
