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DocumentationIdentifier: MM289207
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289207 |
| SMILES |
CC(C=O)(C=O)NCCO
|
| InChIKey |
ZMSBISFXWVMMOH-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52257
Similarity: 0.7174
Similarity to MM52257
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8354 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98341
Similarity: 0.7143
Similarity to MM98341
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM212959
Similarity: 0.6696
Similarity to MM212959
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8021 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
