Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4645877

Name:
4-(p-tolylselanyl)butyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidShow More⌵

Mol. Formula:
C21H30N2O3SSe

M.W.:
469.51

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4639027

Name:
4-(phenylselanyl)butyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidaShow More⌵

Mol. Formula:
C20H28N2O3SSe

M.W.:
455.48

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4638422

Name:
4-(4-methoxyphenylselanyl)butyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,Show More⌵

Mol. Formula:
C21H30N2O4SSe

M.W.:
485.51

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4571032

Name:
3-[1,3-bis(2-naphthylmethyl)benzimidazol-3-ium-2-yl]propyltriphenylphosphonShow More⌵

Mol. Formula:
C50H43Br2N2P

M.W.:
862.69

98 activity values

67 unique targets

Type:
Unknown

AlogP:
10.26

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA2021512

Name:
(-)-(1S,2S,5R)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicycloShow More⌵

Mol. Formula:
C26H34N2O3

M.W.:
422.57

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2021510

Name:
(+)-(1S,2R,5R)-6-Allyl-8-(4-methoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2Show More⌵

Mol. Formula:
C25H32N2O2

M.W.:
392.54

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2021509

Name:
(-)-(1R,2S,5S)-6-Allyl-8-(4-methoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2Show More⌵

Mol. Formula:
C25H32N2O2

M.W.:
392.54

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2021508

Name:
(-)-(1S,2S,5R)-6-Allyl-8-(4-methoxybenzyl)-2-phenoxy-6,8-diazabicyclo[3.2.2Show More⌵

Mol. Formula:
C25H32N2O2

M.W.:
392.54

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
24.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2021507

Name:
(+)-(1S,4S,5R)-8-(4-Methoxybenzyl)-4-phenyl-6-propyl-6,8-diazabicyclo[3.2.2Show More⌵

Mol. Formula:
C24H30N2O2

M.W.:
378.52

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2021506

Name:
(-)-(1R,4R,5S)-8-(4-Methoxybenzyl)-4-phenyl-6-propyl-6,8-diazabicyclo[3.2.2Show More⌵

Mol. Formula:
C24H30N2O2

M.W.:
378.52

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2021504

Name:
(+)-(1S,2R,5R)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicycloShow More⌵

Mol. Formula:
C26H34N2O3

M.W.:
422.57

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2021503

Name:
(-)-(1R,2S,5S)-6-Allyl-2-benzyloxy-8-(2,4-dimethoxybenzyl)-6,8-diazabicycloShow More⌵

Mol. Formula:
C26H34N2O3

M.W.:
422.57

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
34.17

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1760432

Name:
4-(4,9-dimethoxy-10H-indolo[3,2-b]quinolin-11-yl)-N-(2-(dimethylamino)ethylShow More⌵

Mol. Formula:
C28H28N4O3

M.W.:
468.56

22 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
79.48

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1760431

Name:
4-(4,9-dimethyl-10H-indolo[3,2-b]quinolin-11-yl)-N-(2-(dimethylamino)ethyl)Show More⌵

Mol. Formula:
C28H28N4O

M.W.:
436.56

18 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
61.02

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA1760430

Name:
4,9-dimethoxy-11-(4-methoxycarbonylyphenyl)-10H-indolo[3,2-b]quinoline

Mol. Formula:
C25H20N2O4

M.W.:
412.45

6 activity values

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
73.44

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1760429

Name:
4,9-dimethyl-11-(4-methoxycarbonylyphenyl)-10H-indolo[3,2-b]quinoline

Mol. Formula:
C25H20N2O2

M.W.:
380.45

6 activity values

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
54.98

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA553158

Name:
N2,N2,7-Trimethyl-6-phenyl-1,8-naphthyridine-2,4-diamine

Mol. Formula:
C17H18N4

M.W.:
278.36

11 activity values

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
55.04

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA551000

Name:
2,3-Dimethyl-6-pyrrolidin-1-ylfuro[2,3-b]pyridin-4-amine

Mol. Formula:
C13H17N3O

M.W.:
231.30

12 activity values

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
55.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA561790

Name:
9-(4-Methoxybenzyl)-N2,N2-dimethyl-9H-pyrido[2,3-b]indole-2,4-diamine

Mol. Formula:
C21H22N4O

M.W.:
346.43

11 activity values