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DocumentationIdentifier: MM157072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157072 |
| SMILES |
CC#CCC(=O)NCC
|
| InChIKey |
CZTICTXQRCJJPS-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281087
Similarity: 0.8977
Similarity to MM281087
| Tanimoto metric | 0.8977 |
|---|---|
| Cosine metric | 0.9475 |
| Dice metric | 0.9461 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357011
Similarity: 0.8876
Similarity to MM357011
| Tanimoto metric | 0.8876 |
|---|---|
| Cosine metric | 0.9421 |
| Dice metric | 0.9405 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281116
Similarity: 0.8681
Similarity to MM281116
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
