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DocumentationIdentifier: MM300993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300993 |
| SMILES |
CC(O)C(O)CNCCO
|
| InChIKey |
LZVGEGXVTRHLMQ-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300989
Similarity: 0.9231
Similarity to MM300989
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9604 |
| Dice metric | 0.96 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161973
Similarity: 0.9111
Similarity to MM161973
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361911
Similarity: 0.8119
Similarity to MM361911
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8962 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
