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DocumentationIdentifier: MM417935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417935 |
| SMILES |
C#CCCC(C)C(O)CC
|
| InChIKey |
LDJRIAKZLQCVMV-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM403233
Similarity: 0.8554
Similarity to MM403233
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413693
Similarity: 0.7586
Similarity to MM413693
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8627 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM427745
Similarity: 0.7474
Similarity to MM427745
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8554 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
