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DocumentationIdentifier: MM288402
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288402 |
| SMILES |
CCNCC=CCC(C)O
|
| InChIKey |
GYRWRGOFBLHGIA-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72048
Similarity: 0.9014
Similarity to MM72048
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288442
Similarity: 0.7619
Similarity to MM288442
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8656 |
| Dice metric | 0.8649 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372305
Similarity: 0.7529
Similarity to MM372305
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8591 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+800 more
