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DocumentationIdentifier: MM90015
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90015 |
| SMILES |
N#CCC(C=CF)NC=N
|
| InChIKey |
VPNVEMNCGHZSBM-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305630
Similarity: 0.6312
Similarity to MM305630
| Tanimoto metric | 0.6312 |
|---|---|
| Cosine metric | 0.7742 |
| Dice metric | 0.7739 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303783
Similarity: 0.6164
Similarity to MM303783
| Tanimoto metric | 0.6164 |
|---|---|
| Cosine metric | 0.7627 |
| Dice metric | 0.7627 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303732
Similarity: 0.6096
Similarity to MM303732
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7575 |
| Dice metric | 0.7574 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
