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DocumentationIdentifier: MM105494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105494 |
| SMILES |
CC(O)CNCCO
|
| InChIKey |
GBAXGHVGQJHFQL-UHFFFAOYSA-N
|
| MW [Da] |
119.16
Automatically obtained from RDkit software. |
| LogP |
-1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81552
Similarity: 0.8636
Similarity to MM81552
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165560
Similarity: 0.7586
Similarity to MM165560
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165561
Similarity: 0.7333
Similarity to MM165561
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+800 more
