Compounds

Type:
---

AlogP:
4.59

Polar Surface Area:
72.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5182019

Name:
2-(4-isopropyl-6-nitro-2,3-dihydro-1H-quinoxalin-2-yl)-2-methyl-propan-1-ol

Mol. Formula:
C15H23N3O3

M.W.:
293.37

Type:
---

AlogP:
2.62

Polar Surface Area:
78.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5180345

Name:
2-methyl-2-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)propShow More⌵

Mol. Formula:
C16H20N2O3

M.W.:
288.35

Type:
---

AlogP:
3.07

Polar Surface Area:
75.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5175699

Name:
(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)-1,1,1-trifluoro-but-3-en-2-ol

Mol. Formula:
C11H7Cl2F3N2O

M.W.:
311.09

3 activity values

Type:
---

AlogP:
3.81

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5175338

Name:
6,7-dichloro-1-(trifluoromethyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-ol

Mol. Formula:
C13H12Cl2F3NO

M.W.:
326.14

Type:
---

AlogP:
4.35

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4878897

Name:
(S)-3-((1H-1,2,4-Triazol-3-yl)amino)-N-(4-cyano-3-(trifluoromethyl)phenyl)-Show More⌵

Mol. Formula:
C14H13F3N6O2

M.W.:
354.29

2 activity values

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
126.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4877240

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)(phenyl)amino)Show More⌵

Mol. Formula:
C24H19F4N3O2

M.W.:
457.43

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
76.36

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4876629

Name:
(S)-3-(3-Cyano-1H-pyrrol-1-yl)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydrShow More⌵

Mol. Formula:
C17H13F3N4O2

M.W.:
362.31

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
101.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4875270

Name:
(S)-N-(3-Chloro-4-cyanophenyl)-2-hydroxy-3-(1H-imidazol-1-yl)-2-methylpropaShow More⌵

Mol. Formula:
C14H13ClN4O2

M.W.:
304.74

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
90.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4871808

Name:
N-(4-Cyano-3-(trifluoromethyl)phenyl)-4-(4-cyanophenyl)-2-hydroxy-2-methylbShow More⌵

Mol. Formula:
C20H16F3N3O2

M.W.:
387.36

2 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
96.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4870613

Name:
(S)-3-(5-Bromo-1H-imidazol-1-yl)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hyShow More⌵

Mol. Formula:
C15H12BrF3N4O2

M.W.:
417.19

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
90.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4869945

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(3-phenyl-1HShow More⌵

Mol. Formula:
C22H18F3N3O2

M.W.:
413.40

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
78.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4862864

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(3-(trifluorShow More⌵

Mol. Formula:
C15H11F6N5O2

M.W.:
407.27

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
103.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4861278

Name:
(S)-N-(6-Cyano-5-(trifluoromethyl)pyridin-3-yl)-3-(4-(4-fluorophenyl)-1H-1,Show More⌵

Mol. Formula:
C19H14F4N6O2

M.W.:
434.35

Type:
Unknown

AlogP:
2.76

Polar Surface Area:
116.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4861273

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(3-(4-fluorophenyl)-1H-pyrrol-1Show More⌵

Mol. Formula:
C22H17F4N3O2

M.W.:
431.39

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
78.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4857366

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-(1H-1,2,4-trShow More⌵

Mol. Formula:
C14H12F3N5O2

M.W.:
339.28

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
103.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4853827

Name:
4-(4-Bromophenyl)-2-hydroxy-2-methyl-N-(4-cyano-3-(trifluoromethyl)phenyl)bShow More⌵

Mol. Formula:
C19H16BrF3N2O2

M.W.:
441.25

2 activity values

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
73.12

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4853429

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(5-(4-fluorophenyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C20H15F4N5O2

M.W.:
433.37

5 activity values

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
103.83

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4852478

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(3-fluoro-1H-pyrrol-1-yl)-2-hydShow More⌵

Mol. Formula:
C16H13F4N3O2

M.W.:
355.29

Type:
Unknown

AlogP:
2.91

Polar Surface Area:
78.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4852427

Name:
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-3-morpholinoprShow More⌵

Mol. Formula:
C16H18F3N3O3

M.W.:
357.33