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DocumentationIdentifier: MM279015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279015 |
| SMILES |
CC#CCNC(=O)CC#N
|
| InChIKey |
GRUGSVKMWZCINP-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156620
Similarity: 0.8571
Similarity to MM156620
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167702
Similarity: 0.7755
Similarity to MM167702
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370930
Similarity: 0.7273
Similarity to MM370930
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8425 |
| Dice metric | 0.8421 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
