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DocumentationIdentifier: MM201635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM201635 |
| SMILES |
C=COC=C(CC)CC
|
| InChIKey |
LNBYZRRLRQMNEK-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404557
Similarity: 0.9016
Similarity to MM404557
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114730
Similarity: 0.8545
Similarity to MM114730
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38273
Similarity: 0.8364
Similarity to MM38273
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+661 more
