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DocumentationIdentifier: MM404138
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404138 |
| SMILES |
C=CN(C=O)CCCCN
|
| InChIKey |
CROYXPILUUVXQC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199198
Similarity: 0.8966
Similarity to MM199198
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404136
Similarity: 0.8061
Similarity to MM404136
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8927 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340248
Similarity: 0.7879
Similarity to MM340248
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8814 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
