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DocumentationIdentifier: MM314668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314668 |
| SMILES |
CC=CCCNC=O
|
| InChIKey |
GGWQDFWGGMREGH-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
MM317122
Similarity: 0.9038
Similarity to MM317122
| Tanimoto metric | 0.9038 |
|---|---|
| Cosine metric | 0.9507 |
| Dice metric | 0.9495 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313088
Similarity: 0.8393
Similarity to MM313088
| Tanimoto metric | 0.8393 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9126 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311161
Similarity: 0.7872
Similarity to MM311161
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
