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DocumentationIdentifier: MM243118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243118 |
| SMILES |
CCCC(O)(C#N)CCO
|
| InChIKey |
FURRYLIFJCOTJT-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229053
Similarity: 0.8333
Similarity to MM229053
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9098 |
| Dice metric | 0.9091 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139344
Similarity: 0.7658
Similarity to MM139344
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139343
Similarity: 0.7117
Similarity to MM139343
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
