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DocumentationIdentifier: MM260869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260869 |
| SMILES |
CC(=N)NCC=C(C)CN
|
| InChIKey |
IPXCQSZQZQLOFM-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM171057
Similarity: 0.759
Similarity to MM171057
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251870
Similarity: 0.7333
Similarity to MM251870
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8462 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288049
Similarity: 0.7059
Similarity to MM288049
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8276 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
