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DocumentationIdentifier: MM48395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48395 |
| SMILES |
C=C(C)C(NC)C(=C)CO
|
| InChIKey |
RYLOVVSNLIHJGS-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44724
Similarity: 0.7647
Similarity to MM44724
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350040
Similarity: 0.6972
Similarity to MM350040
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8216 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66002
Similarity: 0.6029
Similarity to MM66002
| Tanimoto metric | 0.6029 |
|---|---|
| Cosine metric | 0.7765 |
| Dice metric | 0.7523 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
