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DocumentationIdentifier: MM350040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350040 |
| SMILES |
C=C(CO)C(N)C(=C)CO
|
| InChIKey |
BJQHYDQNZNYXFI-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350038
Similarity: 0.7122
Similarity to MM350038
| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8319 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350495
Similarity: 0.6972
Similarity to MM350495
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8216 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48395
Similarity: 0.6972
Similarity to MM48395
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8216 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
