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DocumentationIdentifier: MM448705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448705 |
| SMILES |
NCC=COCCNC=O
|
| InChIKey |
FDKYHXODHDORNL-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303896
Similarity: 0.8857
Similarity to MM303896
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295149
Similarity: 0.7654
Similarity to MM295149
| Tanimoto metric | 0.7654 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8671 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294976
Similarity: 0.7561
Similarity to MM294976
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8611 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
