Compounds

4 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1744043

Name:
(S) 6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

Mol. Formula:
C19H19NO

M.W.:
277.37

4 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA1202153

Name:
4-Piperidin-3-yl-benzene-1,2-diol hydrobromide

Mol. Formula:
C11H16BrNO2

M.W.:
274.16

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
52.49

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA556616

Name:
N-{7-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indShow More⌵

Mol. Formula:
C26H34ClF2N3O

M.W.:
478.03

Type:
Small molecule

AlogP:
5.36

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA556410

Name:
{4-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indolShow More⌵

Mol. Formula:
C24H30ClF2N3O2

M.W.:
465.97

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA553243

Name:
3-{5-[6-Fluoro-9-(4-fluoro-phenyl)-1,3,4,4a,9,9a-hexahydro-beta-carbolin-2-Show More⌵

Mol. Formula:
C25H29ClF2N4O2

M.W.:
490.98

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA540282

Name:
3-{6-[6-Fluoro-9-(4-fluoro-phenyl)-1,3,4,4a,9,9a-hexahydro-beta-carbolin-2-Show More⌵

Mol. Formula:
C26H31ClF2N4O2

M.W.:
505.01

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
55.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA539257

Name:
8-Fluoro-5-(4-fluoro-phenyl)-2-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3Show More⌵

Mol. Formula:
C18H19ClF2N2

M.W.:
336.81

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
6.48

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA538242

Name:
Phenyl-carbamic acid 2-[8-fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydrShow More⌵

Mol. Formula:
C26H26ClF2N3O2

M.W.:
485.96

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA538990

Name:
Bis-(4-fluoro-phenyl)-piperidin-4-yl-amine hydrochloride

Mol. Formula:
C17H19ClF2N2

M.W.:
324.80

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
15.27

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA554815

Name:
3-Pyridin-3-yl-phenol hydrochloride

Mol. Formula:
C11H10ClNO

M.W.:
207.66

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA556131

Name:
3-(1-Propyl-piperidin-3-yl)-phenylamine hydrochloride

Mol. Formula:
C14H23ClN2

M.W.:
254.80

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
29.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA541278

Name:
3-(1-Methyl-piperidin-3-yl)-phenol hydrobromide

Mol. Formula:
C12H18BrNO

M.W.:
272.19

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA555268

Name:
3-(1-Propyl-pyrrolidin-3-yl)-phenol hydrobromide

Mol. Formula:
C13H20BrNO

M.W.:
286.21

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA538725

Name:
3-(1-Isopropyl-pyrrolidin-3-yl)-phenol hydrochloride

Mol. Formula:
C13H20ClNO

M.W.:
241.76

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
23.47

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.80

DETAILS

ALA537239

Name:
N-Cyclohexyl-4-[8-fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyridoShow More⌵

Mol. Formula:
C33H38F2IN3O

M.W.:
657.59

Type:
Small molecule

AlogP:
7.42

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA544994

Name:
N-{4-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indShow More⌵

Mol. Formula:
C28H30ClF2N3O

M.W.:
498.02

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA544287

Name:
N-{5-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indShow More⌵

Mol. Formula:
C24H30ClF2N3O

M.W.:
449.97

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
35.58

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA544286

Name:
N-{4-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,4a,5,9b-hexahydro-pyrido[4,3-b]indShow More⌵

Mol. Formula:
C28H32ClF2N3O2S

M.W.:
548.10