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DocumentationIdentifier: MM309924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309924 |
| SMILES |
CCC(C)(CO)N=CNC
|
| InChIKey |
KTCNBPLPIXPNAO-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93437
Similarity: 0.7232
Similarity to MM93437
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8394 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM343403
Similarity: 0.648
Similarity to MM343403
| Tanimoto metric | 0.648 |
|---|---|
| Cosine metric | 0.7894 |
| Dice metric | 0.7864 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423636
Similarity: 0.6279
Similarity to MM423636
| Tanimoto metric | 0.6279 |
|---|---|
| Cosine metric | 0.7731 |
| Dice metric | 0.7714 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
