Compounds

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
68.52

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4294808

Name:
2-(3-Fluoromethylphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimShow More⌵

Mol. Formula:
C13H5F6N3OS

M.W.:
365.26

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
47.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4294381

Name:
(Z)-3-(2-Methoxy-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,Show More⌵

Mol. Formula:
C16H13NO4S

M.W.:
315.35

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4292898

Name:
(Z)-3-(3-Chloro-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,2Show More⌵

Mol. Formula:
C15H10ClNO3S

M.W.:
319.77

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4292887

Name:
2-(4-Ethoxyphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C14H10F3N3O2S

M.W.:
341.31

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4292485

Name:
2-n-Propylamino-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-onShow More⌵

Mol. Formula:
C9H9F3N4OS

M.W.:
278.26

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
59.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4292054

Name:
2-(4-Methylphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C13H8F3N3OS

M.W.:
311.29

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
47.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4291826

Name:
2-(4-Methoxylphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidinShow More⌵

Mol. Formula:
C13H8F3N3O2S

M.W.:
327.29

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4290987

Name:
(Z)-3-(4-Methoxy-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,Show More⌵

Mol. Formula:
C16H13NO4S

M.W.:
315.35

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4289799

Name:
2-(4-Aminophenyl)amino-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidShow More⌵

Mol. Formula:
C12H8F3N5OS

M.W.:
327.29

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
85.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4289643

Name:
2-(4-Ethylphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-Show More⌵

Mol. Formula:
C14H10F3N3OS

M.W.:
325.32

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
47.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4289564

Name:
(Z)-3-(3-Hydroxy-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,Show More⌵

Mol. Formula:
C15H11NO4S

M.W.:
301.32

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4289495

Name:
2-(2-Fluorophenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5Show More⌵

Mol. Formula:
C12H5F4N3OS

M.W.:
315.25

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
47.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4288640

Name:
2-Di-n-butylamino-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-Show More⌵

Mol. Formula:
C14H19F3N4OS

M.W.:
348.39

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
50.50

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4288407

Name:
2-(3,5-Di-methoxyphenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimShow More⌵

Mol. Formula:
C14H10F3N3O3S

M.W.:
357.31

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
65.72

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4287568

Name:
(Z)-3-(3-Bromo-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,2]Show More⌵

Mol. Formula:
C15H10BrNO3S

M.W.:
364.22

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4287459

Name:
2-(3-Cyanophenyl)-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-Show More⌵

Mol. Formula:
C13H5F3N4OS

M.W.:
322.27

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
71.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4287345

Name:
(Z)-3-(2,4-Dichloro-benzylidene)-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e]Show More⌵

Mol. Formula:
C15H9Cl2NO3S

M.W.:
354.21

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4287221

Name:
2-(4-i-Propylphenyl)amino-7-trifluoromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyriShow More⌵

Mol. Formula:
C15H13F3N4OS

M.W.:
354.36

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
59.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4287165

Name:
(Z)-3-Benzylidene-1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[e][1,2]thiazin-4-Show More⌵

Mol. Formula:
C15H11NO3S

M.W.:
285.32