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DocumentationIdentifier: MM81193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81193 |
| SMILES |
C=CC(O)C(C)NCC
|
| InChIKey |
HMWDBFMPZMVKPH-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59989
Similarity: 0.8673
Similarity to MM59989
| Tanimoto metric | 0.8673 |
|---|---|
| Cosine metric | 0.9313 |
| Dice metric | 0.9289 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46614
Similarity: 0.8235
Similarity to MM46614
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48114
Similarity: 0.8167
Similarity to MM48114
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+590 more
