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DocumentationIdentifier: MM281004
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281004 |
| SMILES |
CCC#CCC(C)OC=O
|
| InChIKey |
JKUNNZIURHRXPN-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157058
Similarity: 0.9157
Similarity to MM157058
| Tanimoto metric | 0.9157 |
|---|---|
| Cosine metric | 0.9569 |
| Dice metric | 0.956 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281005
Similarity: 0.8478
Similarity to MM281005
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9176 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281057
Similarity: 0.7835
Similarity to MM281057
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8786 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
