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DocumentationIdentifier: MM423945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423945 |
| SMILES |
CCOC=CC(C#N)CC
|
| InChIKey |
LVBFNXPLERBXDD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200626
Similarity: 0.8333
Similarity to MM200626
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424561
Similarity: 0.7426
Similarity to MM424561
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8523 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169618
Similarity: 0.7222
Similarity to MM169618
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+669 more
