Compounds

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3188754

Name:
SID150864388

Mol. Formula:
C14H13N5O

M.W.:
267.29

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
81.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3188640

Name:
SID150864375

Mol. Formula:
C15H17FN4O

M.W.:
288.33

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3188524

Name:
SID150864367

Mol. Formula:
C16H20N4O

M.W.:
284.36

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3188297

Name:
SID150864404

Mol. Formula:
C16H20N4O3

M.W.:
316.36

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3188207

Name:
SID150864382

Mol. Formula:
C18H22N4O3

M.W.:
342.40

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3188146

Name:
SID150864389

Mol. Formula:
C16H17N5O

M.W.:
295.35

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
81.91

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3187975

Name:
SID150864392

Mol. Formula:
C20H25N5O3

M.W.:
383.45

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
87.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3187872

Name:
SID150864401

Mol. Formula:
C17H20N4O

M.W.:
296.37

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.95

DETAILS

ALA3187814

Name:
SID150864397

Mol. Formula:
C15H18N4O

M.W.:
270.34

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3187752

Name:
SID150864414

Mol. Formula:
C14H16N4OS

M.W.:
288.38

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
58.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3187538

Name:
SID150864411

Mol. Formula:
C14H16N4O2

M.W.:
272.31

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3187528

Name:
SID150864385

Mol. Formula:
C17H22N4O3

M.W.:
330.39

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
76.58

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3187517

Name:
SID150864368

Mol. Formula:
C15H18N4O

M.W.:
270.34

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3187493

Name:
SID150864408

Mol. Formula:
C17H20N4O2

M.W.:
312.37

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3187241

Name:
SID150864407

Mol. Formula:
C17H20N4O2

M.W.:
312.37

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
67.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3187121

Name:
SID150864396

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
66.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA3187107

Name:
SID150864378

Mol. Formula:
C14H16N4O

M.W.:
256.31

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3186785

Name:
SID150864380

Mol. Formula:
C14H15BrN4O2

M.W.:
351.20

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
71.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3186748

Name:
SID150864387

Mol. Formula:
C13H13FN4O

M.W.:
260.27