Compounds

ALA5306115

Name:

Mol. Formula:
C15H12ClNO2

M.W.:
273.72

Type:
---

AlogP:
4.04

Polar Surface Area:
41.82

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5306113

Name:

Mol. Formula:
C13H11BrFN5

M.W.:
336.17

Type:
---

AlogP:
2.91

Polar Surface Area:
66.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5306111

Name:

Mol. Formula:
C16H9N3O2S2

M.W.:
339.40

Type:
---

AlogP:
2.86

Polar Surface Area:
62.30

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5306110

Name:

Mol. Formula:
C16H13N3O3

M.W.:
295.30

Type:
---

AlogP:
3.00

Polar Surface Area:
88.25

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5306109

Name:
Aurintricarboxylic Acid (ammonium salt)

Mol. Formula:
C22H23N3O9

M.W.:
473.44

Type:
---

AlogP:
2.45

Polar Surface Area:
169.43

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5306099

Name:

Mol. Formula:
C14H10ClFN4O

M.W.:
304.71

Type:
---

AlogP:
3.08

Polar Surface Area:
59.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5306095

Name:

Mol. Formula:
C12H16N4O2S

M.W.:
280.35

Type:
---

AlogP:
1.34

Polar Surface Area:
68.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5306084

Name:

Mol. Formula:
C20H26N2O2

M.W.:
326.44

Type:
---

AlogP:
3.87

Polar Surface Area:
45.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5306083

Name:

Mol. Formula:
C23H27N5O4S

M.W.:
469.57

Type:
---

AlogP:
2.55

Polar Surface Area:
104.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5306079

Name:

Mol. Formula:
C18H14FN3O3

M.W.:
339.33

Type:
---

AlogP:
2.84

Polar Surface Area:
84.08

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5306077

Name:

Mol. Formula:
C20H19N3O3

M.W.:
349.39

Type:
---

AlogP:
3.20

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5306072

Name:

Mol. Formula:
C16H16N6OS

M.W.:
340.41

Type:
---

AlogP:
2.57

Polar Surface Area:
101.96

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5306070

Name:

Mol. Formula:
C17H13N3O5S2

M.W.:
403.44

Type:
---

AlogP:
2.09

Polar Surface Area:
105.67

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5306068

Name:

Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
---

AlogP:
1.77

Polar Surface Area:
75.46

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5306063

Name:

Mol. Formula:
C21H23N5O3

M.W.:
393.45

Type:
---

AlogP:
3.37

Polar Surface Area:
93.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5306060

Name:

Mol. Formula:
C20H19FN4O3S2

M.W.:
446.53

Type:
---

AlogP:
3.05

Polar Surface Area:
82.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5306059

Name:

Mol. Formula:
C22H28N6O

M.W.:
392.51

Type:
---

AlogP:
2.07

Polar Surface Area:
65.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5306052

Name:
PD129990

Mol. Formula:
C9H10Cl2N2O

M.W.:
233.10

Type:
---

AlogP:
1.52

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA5306049

Name:

Mol. Formula:
C13H19BrClN

M.W.:
304.66

Type:
---

AlogP:
3.57

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5306048

Name:

Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
---

AlogP:
3.60

Polar Surface Area:
58.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS