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DocumentationIdentifier: MM94140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94140 |
| SMILES |
CCC(C)N(C=O)CCO
|
| InChIKey |
MDGGAJLGIMVUNU-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196974
Similarity: 0.7273
Similarity to MM196974
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67891
Similarity: 0.687
Similarity to MM67891
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8145 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177958
Similarity: 0.6727
Similarity to MM177958
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8043 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
