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DocumentationIdentifier: MM94717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94717 |
| SMILES |
CC(N)CN=CNC(C)C
|
| InChIKey |
ATHYHINVHBKSST-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83737
Similarity: 0.7625
Similarity to MM83737
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8654 |
| Dice metric | 0.8652 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153549
Similarity: 0.7536
Similarity to MM153549
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287996
Similarity: 0.7349
Similarity to MM287996
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8472 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
