Compounds

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3391980

Name:
SID103074692

Mol. Formula:
C21H32O3

M.W.:
332.48

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3391978

Name:
SID89851793

Mol. Formula:
C21H32O4

M.W.:
348.48

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3391977

Name:
SID99356377

Mol. Formula:
C20H32O2

M.W.:
304.47

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3391975

Name:
SID103073367

Mol. Formula:
C23H36O6

M.W.:
408.54

2 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3208635

Name:
SID49821554

Mol. Formula:
C14H14N2O5S

M.W.:
322.34

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
108.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3207723

Name:
SID17402365

Mol. Formula:
C19H14Cl3N3O3

M.W.:
438.70

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
65.71

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3197794

Name:
SID7977559

Mol. Formula:
C11H10N4

M.W.:
198.23

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
43.07

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2374009

Name:
SID49826799

Mol. Formula:
C19H17F3N2O2

M.W.:
362.35

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
42.31

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2369163

Name:
SID89850827

Mol. Formula:
C14H13ClN2O4

M.W.:
308.72

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
103.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2145428

Name:
SID85200461

Mol. Formula:
C30H35N3O5

M.W.:
517.63

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
111.73

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2145425

Name:
SID47196218

Mol. Formula:
C12H12N2S

M.W.:
216.31

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
38.91

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2145422

Name:
SID99359129

Mol. Formula:
C37H48N4O7

M.W.:
660.81

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
129.67

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2145412

Name:
SID103050650

Mol. Formula:
C19H21NO3

M.W.:
311.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA2145410

Name:
SID99357452

Mol. Formula:
C20H33N5O4

M.W.:
407.52

Type:
Small molecule

AlogP:
0.67

Polar Surface Area:
100.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2145407

Name:
SID24794304

Mol. Formula:
C13H18ClNO

M.W.:
239.75

Type:
Small molecule

AlogP:
1.40

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA2145402

Name:
SID99356919

Mol. Formula:
C26H37N3O3S

M.W.:
471.67

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2145400

Name:
SID103060346

Mol. Formula:
C22H20N2O7

M.W.:
424.41

Type:
Small molecule

AlogP:
2.18

Polar Surface Area:
122.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2145389

Name:
SID49677771

Mol. Formula:
C18H27NO4

M.W.:
321.42

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2145388

Name:
SID103162814

Mol. Formula:
C21H28N2O2

M.W.:
340.47