Compounds

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
105.31

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3989314

Name:
DDD01292347

Mol. Formula:
C18H26N4S

M.W.:
330.50

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3989313

Name:
DDD01712258

Mol. Formula:
C13H10F3N3O4S

M.W.:
361.30

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
122.38

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3989312

Name:
DDD01435979

Mol. Formula:
C19H23N5S

M.W.:
353.50

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
46.84

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3989311

Name:
DDD01046325

Mol. Formula:
C20H21N3O2S

M.W.:
367.47

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
75.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3989310

Name:
DDD01283173

Mol. Formula:
C18H24N4OS

M.W.:
344.48

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
58.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA3989309

Name:
DDD01712691

Mol. Formula:
C10H16N6O

M.W.:
236.28

Type:
Small molecule

AlogP:
-0.17

Polar Surface Area:
79.10

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3989308

Name:
DDD01714180

Mol. Formula:
C19H25FN4O3S

M.W.:
408.50

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
74.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3989307

Name:
DDD00757801

Mol. Formula:
C13H14N6S2

M.W.:
318.43

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
93.37

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3989306

Name:
DDD01714256

Mol. Formula:
C6H8ClN3O

M.W.:
173.60

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
58.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3989305

Name:
DDD01275925

Mol. Formula:
C15H16N4O2S2

M.W.:
348.45

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
97.97

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3989304

Name:
DDD01715078

Mol. Formula:
C14H15F3N4O

M.W.:
312.30

3 activity values

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
70.07

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3989303

Name:
DDD00009621

Mol. Formula:
C16H16N2O3

M.W.:
284.31

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA3989302

Name:
DDD01715651

Mol. Formula:
C19H19N7O2

M.W.:
377.41

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
105.79

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3989301

Name:
DDD01279589

Mol. Formula:
C15H17N5S

M.W.:
299.40

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
69.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3989300

Name:
DDD01285825

Mol. Formula:
C19H28N4OS

M.W.:
360.53

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
61.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3989299

Name:
DDD01240856

Mol. Formula:
C16H22N4S2

M.W.:
334.51

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
32.26

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3989298

Name:
DDD01285029

Mol. Formula:
C14H19N3O2S

M.W.:
293.39

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
75.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3989297

Name:
DDD00342304

Mol. Formula:
C18H20N4O2S2

M.W.:
388.52

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
58.56

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3989296

Name:
DDD01712389

Mol. Formula:
C20H27N5O5S

M.W.:
449.53