Compounds

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA140540

Name:
N-((3R,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-benzamide

Mol. Formula:
C20H21NO4

M.W.:
339.39

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA342384

Name:
Cyclohexanecarboxylic acid (6-acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-aShow More⌵

Mol. Formula:
C20H27NO4

M.W.:
345.44

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA341917

Name:
4-Fluoro-N-(3-hydroxy-2,2-dimethyl-6-propionyl-chroman-4-yl)-benzamide

Mol. Formula:
C21H22FNO4

M.W.:
371.41

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA141054

Name:
N-((3R,4S)-6-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-iodo-benzamide

Mol. Formula:
C20H20INO4

M.W.:
465.29

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA140592

Name:
N-(5-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamide

Mol. Formula:
C20H20FNO4

M.W.:
357.38

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA343334

Name:
N-(6-Benzoyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamide

Mol. Formula:
C25H22FNO4

M.W.:
419.45

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA344606

Name:
4-(4-Fluoro-benzoylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid Show More⌵

Mol. Formula:
C20H20FNO5

M.W.:
373.38

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA138756

Name:
4-(4-Fluoro-benzoylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid Show More⌵

Mol. Formula:
C19H19FN2O4

M.W.:
358.37

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
101.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA137864

Name:
4-Fluoro-N-(3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl)-benzamide

Mol. Formula:
C18H17FN2O5

M.W.:
360.34

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
101.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA140825

Name:
N-(8-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamide

Mol. Formula:
C20H20FNO4

M.W.:
357.38

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA342656

Name:
4-Fluoro-N-((3R,4S)-3-hydroxy-2,2-dimethyl-6-pentafluoroethyl-chroman-4-yl)Show More⌵

Mol. Formula:
C20H17F6NO3

M.W.:
433.35

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA138598

Name:
N-(7-Acetyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamide

Mol. Formula:
C20H20FNO4

M.W.:
357.38

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA139968

Name:
4-Fluoro-N-(6-fluoro-3-hydroxy-2,2-dimethyl-chroman-4-yl)-benzamide

Mol. Formula:
C18H17F2NO3

M.W.:
333.33

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA139672

Name:
4-Fluoro-N-(3-hydroxy-2,2,6-trimethyl-chroman-4-yl)-benzamide

Mol. Formula:
C19H20FNO3

M.W.:
329.37

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA344203

Name:
N-(6-Benzenesulfonyl-3-hydroxy-2,2-dimethyl-chroman-4-yl)-4-fluoro-benzamidShow More⌵

Mol. Formula:
C24H22FNO5S

M.W.:
455.51

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA317794

Name:
4-Chloro-2-methoxy-N-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-5-yl)-benzamiShow More⌵

Mol. Formula:
C18H19ClN2O2

M.W.:
330.81

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA318470

Name:
3,5-Dichloro-2-methoxy-N-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-5-yl)-benShow More⌵

Mol. Formula:
C18H18Cl2N2O2

M.W.:
365.26

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA98441

Name:
3-Chloro-N-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-5-yl)-benzamide

Mol. Formula:
C17H17ClN2O

M.W.:
300.79

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA100516

Name:
5-Chloro-2-methoxy-4-methyl-N-(2-methyl-1,2,3,4-tetrahydro-isoquinolin-5-ylShow More⌵

Mol. Formula:
C19H21ClN2O2

M.W.:
344.84