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DocumentationIdentifier: MM456816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456816 |
| SMILES |
NCCOC=CC=CCF
|
| InChIKey |
ZGTRDIJUSBATMX-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215140
Similarity: 0.8
Similarity to MM215140
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456818
Similarity: 0.7125
Similarity to MM456818
| Tanimoto metric | 0.7125 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8321 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457076
Similarity: 0.7073
Similarity to MM457076
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8286 |
| Dice metric | 0.8286 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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