Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794950

Name:
NA

Mol. Formula:
C52H78N6O22S2

M.W.:
1203.35

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4794240

Name:
NA

Mol. Formula:
C49H73N5O23S3

M.W.:
1196.34

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4764378

Name:
NA

Mol. Formula:
C49H73N5O23S3

M.W.:
1196.34

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4744171

Name:
NA

Mol. Formula:
C43H63N5O12S

M.W.:
874.07

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
268.84

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4163962

Name:
(5R,6S)-6-((R)-1-hydroxyethyl)-7-oxo-3-(2-(pyridin-2-yl)ethyl)-4-thia-1-azaShow More⌵

Mol. Formula:
C15H16N2O4S

M.W.:
320.37

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
90.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1916869

Name:
(E)-Methyl 2-(1-(2-hydroxyphenyl)ethylidene)hydrazinecarbodithioate

Mol. Formula:
C10H12N2OS2

M.W.:
240.35

16 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
44.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1916868

Name:
(E)-Methyl 2-(4-hydroxybenzylidene)hydrazinecarbodithioate

Mol. Formula:
C9H10N2OS2

M.W.:
226.33

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
44.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1916867

Name:
(E)-Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate

Mol. Formula:
C9H10N2OS2

M.W.:
226.33

16 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
44.62

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1916866

Name:
(E)-N-Hydroxy-2-(1-(4-hydroxyphenyl)ethylidene)hydrazinecarboxamide

Mol. Formula:
C9H11N3O3

M.W.:
209.21

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
93.95

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1916865

Name:
(E)-N-Hydroxy-2-(1-(2-hydroxyphenyl)ethylidene)hydrazinecarboxamide

Mol. Formula:
C9H11N3O3

M.W.:
209.21

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
93.95

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1916864

Name:
(E)-N-Hydroxy-2-(4-hydroxybenzylidene)hydrazinecarboxamide

Mol. Formula:
C8H9N3O3

M.W.:
195.18

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
93.95

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1916863

Name:
(E)-N-Hydroxy-2-(2-hydroxybenzylidene)hydrazinecarboxamide

Mol. Formula:
C8H9N3O3

M.W.:
195.18

Type:
Small molecule

AlogP:
0.41

Polar Surface Area:
93.95

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1916862

Name:
(S)-2,4'-(1-Tosyl-4,5-dihydro-1H-pyrazole-3,5-diyl)diphenol

Mol. Formula:
C22H20N2O4S

M.W.:
408.48

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
90.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1916861

Name:
(S)-2,2'-(1-Tosyl-4,5-dihydro-1H-pyrazole-3,5-diyl)diphenol

Mol. Formula:
C22H20N2O4S

M.W.:
408.48

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
90.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1916860

Name:
(S)-2,4'-(1-(Phenylsulfonyl)-4,5-dihydro-1H-pyrazole-3,5-diyl)diphenol

Mol. Formula:
C21H18N2O4S

M.W.:
394.45

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
90.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1916859

Name:
(S)-2,2'-(1-(Phenylsulfonyl)-4,5-dihydro-1H-pyrazole-3,5-diyl)diphenol

Mol. Formula:
C21H18N2O4S

M.W.:
394.45

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
90.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA1916858

Name:
(S)-(3-(2-Hydroxyphenyl)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(pShow More⌵

Mol. Formula:
C22H18N2O3

M.W.:
358.40

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
73.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1916857

Name:
(S)-(3,5-Bis(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone

Mol. Formula:
C22H18N2O3

M.W.:
358.40

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
73.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA1916856

Name:
(S)-(3-(2-Hydroxyphenyl)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(pShow More⌵

Mol. Formula:
C21H17N3O3

M.W.:
359.39