Compounds

ALA5272631

Name:
2-((4-((4-fluorophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxy-4H-Show More⌵

Mol. Formula:
C15H12FN3O4

M.W.:
317.28

Type:
---

AlogP:
1.70

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5272433

Name:
4-(4-(hydroxymethyl)-1,3-dithiolan-2-yl)benzene-1,3-diol

Mol. Formula:
C10H12O3S2

M.W.:
244.34

Type:
---

AlogP:
1.94

Polar Surface Area:
60.69

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5271757

Name:
2-((4-((4-bromophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxy-4H-pShow More⌵

Mol. Formula:
C15H12BrN3O4

M.W.:
378.18

Type:
---

AlogP:
2.33

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5271552

Name:
5-hydroxy-2-((4-((naphthalen-1-yloxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-Show More⌵

Mol. Formula:
C19H15N3O4

M.W.:
349.35

Type:
---

AlogP:
2.72

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5271322

Name:
2-(3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl)-5-hydroxypyridin-4(1H)-one

Mol. Formula:
C14H10FNO3

M.W.:
259.24

Type:
---

AlogP:
2.12

Polar Surface Area:
70.16

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5270893

Name:

Mol. Formula:
C14H13BF2N4

M.W.:
286.09

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270398

Name:
3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one

Mol. Formula:
C16H11BrO2S

M.W.:
347.23

Type:
---

AlogP:
4.53

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5270388

Name:
2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxy-pyraShow More⌵

Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
---

AlogP:
2.52

Polar Surface Area:
91.42

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269143

Name:
5-(5-bromo-2-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methylbeShow More⌵

Mol. Formula:
C22H17BrFN5O3S

M.W.:
530.38

Type:
---

AlogP:
3.03

Polar Surface Area:
98.14

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5269104

Name:
N-(4-((2,4-diamino-6-chloropyrimidin-5-yl)diazenyl)phenyl)acetamide

Mol. Formula:
C12H12ClN7O

M.W.:
305.73

Type:
---

AlogP:
2.67

Polar Surface Area:
131.64

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5268456

Name:
2-oxo-2-((2-oxo-2H-chromen-6-yl)oxy)ethyl 2,4-dihydroxybenzoate

Mol. Formula:
C18H12O8

M.W.:
356.29

Type:
---

AlogP:
1.97

Polar Surface Area:
123.27

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5267734

Name:
2-((4-((2,4-dichlorophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxyShow More⌵

Mol. Formula:
C15H11Cl2N3O4

M.W.:
368.18

Type:
---

AlogP:
2.87

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5282064

Name:
N'-(3-ethoxy-4-hydroxybenzylidene)-4-hydroxy-3-methoxybenzohydrazide

Mol. Formula:
C17H18N2O5

M.W.:
330.34

Type:
---

AlogP:
2.27

Polar Surface Area:
100.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5280884

Name:
2-((4-((3,5-dimethoxyphenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxShow More⌵

Mol. Formula:
C17H17N3O6

M.W.:
359.34

Type:
---

AlogP:
1.58

Polar Surface Area:
108.84

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5280416

Name:
6,6'-(ethene-1,2-diyl)bis(3-hydroxy-4H-pyran-4-one)

Mol. Formula:
C12H8O6

M.W.:
248.19

Type:
---

AlogP:
1.17

Polar Surface Area:
100.88

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5279351

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yShow More⌵

Mol. Formula:
C17H14O7

M.W.:
330.29

Type:
---

AlogP:
1.87

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279141

Name:
2-((4-((4-chlorophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxy-4H-Show More⌵

Mol. Formula:
C15H12ClN3O4

M.W.:
333.73

Type:
---

AlogP:
2.22

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5279001

Name:
1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C18H18O5

M.W.:
314.34

Type:
---

AlogP:
3.31

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278450

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carShow More⌵

Mol. Formula:
C15H12O7

M.W.:
304.25

Type:
---

AlogP:
1.47

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5277342

Name:
5-hydroxy-2-((4-((naphthalen-2-yloxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-Show More⌵

Mol. Formula:
C19H15N3O4

M.W.:
349.35

Type:
---

AlogP:
2.72

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS