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DocumentationIdentifier: MM379782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379782 |
| SMILES |
CCC(C#CC#N)CC#N
|
| InChIKey |
PQGIYSRXFAAHBR-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303829
Similarity: 0.8205
Similarity to MM303829
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9014 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46907
Similarity: 0.8108
Similarity to MM46907
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379676
Similarity: 0.7805
Similarity to MM379676
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.8767 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+404 more
