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DocumentationIdentifier: MM88710
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88710 |
| SMILES |
CN=C(C=CN)NCCO
|
| InChIKey |
RGTPELJMNGCZLM-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200096
Similarity: 0.7807
Similarity to MM200096
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52037
Similarity: 0.6765
Similarity to MM52037
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.807 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70471
Similarity: 0.6715
Similarity to MM70471
| Tanimoto metric | 0.6715 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.8035 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
