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DocumentationIdentifier: MM66116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66116 |
| SMILES |
C=C(C)C(O)CN
|
| InChIKey |
NTKSLCGTSLOBPT-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111710
Similarity: 0.7534
Similarity to MM111710
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.868 |
| Dice metric | 0.8594 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111709
Similarity: 0.7333
Similarity to MM111709
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75219
Similarity: 0.7237
Similarity to MM75219
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8397 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+731 more
