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DocumentationIdentifier: MM352964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352964 |
| SMILES |
C=C(CO)C(N)CC=CC
|
| InChIKey |
MQZCROHNZKJQIC-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM65213
Similarity: 0.8276
Similarity to MM65213
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77943
Similarity: 0.7177
Similarity to MM77943
| Tanimoto metric | 0.7177 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8357 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162852
Similarity: 0.6897
Similarity to MM162852
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
