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DocumentationIdentifier: MM383142
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383142 |
| SMILES |
C#CCC(C)N1CC1C=O
|
| InChIKey |
LEAGRBOTABTBMO-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382799
Similarity: 0.8
Similarity to MM382799
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383140
Similarity: 0.7515
Similarity to MM383140
| Tanimoto metric | 0.7515 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8581 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384463
Similarity: 0.7484
Similarity to MM384463
| Tanimoto metric | 0.7484 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8561 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
