Compounds

Type:
Unknown

AlogP:
8.00

Polar Surface Area:
111.55

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4648566

Name:
N-(3-(allylthio)-1-(benzo[d]thiazol-2-ylamino)-1-oxopropan-2-yl)-4-(1,2,3,4Show More⌵

Mol. Formula:
C30H33N5O2S2

M.W.:
559.76

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4647757

Name:
(S)-2-amino-3-(prop-2-ynylthio)-N-(4-(1,2,3,4-tetrahydroacridin-9-ylamino)bShow More⌵

Mol. Formula:
C23H30N4OS

M.W.:
410.59

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
80.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4642573

Name:
N-(3-(allylthio)-1-(benzo[d]thiazol-2-ylamino)-1-oxopropan-2-yl)-6-(1,2,3,4Show More⌵

Mol. Formula:
C32H37N5O2S2

M.W.:
587.82

2 activity values

Type:
Unknown

AlogP:
6.74

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4641182

Name:
N-(1-(benzo[d]thiazol-2-ylamino)-1-oxo-3-(prop-2-ynylthio)propan-2-yl)-6-(6Show More⌵

Mol. Formula:
C32H34ClN5O2S2

M.W.:
620.24

Type:
Unknown

AlogP:
6.84

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4640059

Name:
N-(3-(allylthio)-1-(benzo[d]thiazol-2-ylamino)-1-oxopropan-2-yl)-6-(6-chlorShow More⌵

Mol. Formula:
C32H36ClN5O2S2

M.W.:
622.26

Type:
Unknown

AlogP:
7.39

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4639993

Name:
(S)-3-(allylthio)-2-amino-N-(3-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylaminShow More⌵

Mol. Formula:
C22H29ClN4OS

M.W.:
433.02

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
80.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4639503

Name:
(S)-2-amino-N-(3-(6-chloro-1,2,3,4-tetrahydroacridin-9-ylamino)propyl)-3-(pShow More⌵

Mol. Formula:
C22H27ClN4OS

M.W.:
431.01

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
80.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4637185

Name:
N-(1-(benzo[d]thiazol-2-ylamino)-1-oxo-3-(prop-2-ynylthio)propan-2-yl)-4-(1Show More⌵

Mol. Formula:
C30H31N5O2S2

M.W.:
557.75

2 activity values

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4635698

Name:
N-(1-(benzo[d]thiazol-2-ylamino)-1-oxo-3-(prop-2-ynylthio)propan-2-yl)-6-(1Show More⌵

Mol. Formula:
C32H35N5O2S2

M.W.:
585.80

Type:
Unknown

AlogP:
6.19

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4635342

Name:
N-(3-(allylthio)-1-(benzo[d]thiazol-2-ylamino)-1-oxopropan-2-yl)-4-(6-chlorShow More⌵

Mol. Formula:
C30H32ClN5O2S2

M.W.:
594.21

Type:
Unknown

AlogP:
6.61

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4633417

Name:
N-(1-(benzo[d]thiazol-2-ylamino)-1-oxo-3-(prop-2-ynylthio)propan-2-yl)-4-(6Show More⌵

Mol. Formula:
C30H30ClN5O2S2

M.W.:
592.19

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
96.01

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4633036

Name:
(S)-3-(allylthio)-2-amino-N-(3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl)Show More⌵

Mol. Formula:
C22H30N4OS

M.W.:
398.58

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
80.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4176078

Name:
1-(2-fluorobenzyl)-3-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C25H24ClFN2

M.W.:
406.93

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4175629

Name:
1-(2-fluorobenzyl)-4-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C25H24ClFN2

M.W.:
406.93

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4175199

Name:
1-(4-fluorobenzyl)-4-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C25H24ClFN2

M.W.:
406.93

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4174929

Name:
1-(2-methylbenzyl)-4-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C26H27BrN2

M.W.:
447.42

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4173247

Name:
1-Benzyl-3-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1-ium bromiShow More⌵

Mol. Formula:
C25H25BrN2

M.W.:
433.39

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4172701

Name:
1-(3-fluorobenzyl)-4-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C25H24BrFN2

M.W.:
451.38

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4171576

Name:
1-(4-chlorobenzyl)-3-((1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl)pyridin-1Show More⌵

Mol. Formula:
C25H24Cl2N2

M.W.:
423.39