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DocumentationIdentifier: MM107215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107215 |
| SMILES |
CC(CCN)NC=O
|
| InChIKey |
VUYGKVNKEMCEDE-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132381
Similarity: 0.7162
Similarity to MM132381
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8346 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165718
Similarity: 0.7015
Similarity to MM165718
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8246 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58554
Similarity: 0.6883
Similarity to MM58554
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8154 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
