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DocumentationIdentifier: MM272014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272014 |
| SMILES |
CCC(CC(C)N)OC=O
|
| InChIKey |
BIMNBJRJJJFWCL-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261411
Similarity: 0.7244
Similarity to MM261411
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8402 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261413
Similarity: 0.6947
Similarity to MM261413
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.8198 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83929
Similarity: 0.6636
Similarity to MM83929
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.7978 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
