Compounds

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4875495

Name:
2-Chloro-N-((3S,4S)-4-(3,5-difluorophenyl)piperidin-3-yl)-4-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C22H22Cl2F2N4O

M.W.:
467.35

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4875416

Name:
4-[(S)-2-Azetidin-1-yl-1-(4-trifluoromethyl-phenyl)-ethylamino]-quinazolineShow More⌵

Mol. Formula:
C20H20FN5O

M.W.:
365.41

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4874391

Name:
N-((3S,4S)-4-(3,5-Difluorophenyl)piperidin-3-yl)-3-fluoro-4-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C22H22ClF3N4O

M.W.:
450.89

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4871853

Name:
4-[(S)-2-Azetidin-1-yl-1-(3,4-difluoro-phenyl)-ethylamino]-quinazoline-8-caShow More⌵

Mol. Formula:
C21H20F3N5O

M.W.:
415.42

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

M2698

Name:
MSC-2363318A

Mol. Formula:
C21H19ClF3N5O

M.W.:
449.86

38 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4868168

Name:
N-((3S,4S)-4-(3,4-Difluorophenyl)piperidin-3-yl)-2,6-difluoro-4-(1-methyl-1Show More⌵

Mol. Formula:
C22H21ClF4N4O

M.W.:
468.88

4 activity values

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4867422

Name:
N-((3S,4S)-4-(3,4-Difluorophenyl)piperidin-3-yl)-3-fluoro-4-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C22H22ClF3N4O

M.W.:
450.89

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4866810

Name:
N-((3S,4S)-4-(3,5-Difluorophenyl)piperidin-3-yl)-2-fluoro-4-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C22H22ClF3N4O

M.W.:
450.89

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4860970

Name:
4-[(S)-2-Azetidin-1-yl-1-(4-chloro-3-fluoro-phenyl)-ethylamino]-quinazolineShow More⌵

Mol. Formula:
C20H19F2N5O

M.W.:
383.40

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4858782

Name:
2-Chloro-N-((3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl)-4-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C22H22Cl2F2N4O

M.W.:
467.35

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4856439

Name:
4-[[(1S)-2-(azetidin-1-yl)-1-(4-chloro-3-fluoro-phenyl)ethyl]amino]quinazolShow More⌵

Mol. Formula:
C20H19ClFN5O

M.W.:
399.86

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4855657

Name:
4-[(S)-2-Azetidin-1-yl-1-(3-trifluoromethyl-phenyl)-ethylamino]-quinazolineShow More⌵

Mol. Formula:
C20H20ClN5O

M.W.:
381.87

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4855363

Name:
N-((3S,4S)-4-(3,4-Difluorophenyl)piperidin-3-yl)-2,5-difluoro-4-(1-methyl-1Show More⌵

Mol. Formula:
C22H21ClF4N4O

M.W.:
468.88

Type:
Unknown

AlogP:
3.52

Polar Surface Area:
58.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4851020

Name:
4-[(S)-2-Azetidin-1-yl-1-(3-fluorophenyl)-ethylamino]-quinazoline-8-carboxaShow More⌵

Mol. Formula:
C20H20FN5O

M.W.:
365.41

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4846712

Name:
4-[(S)-2-Azetidin-1-yl-1-(4-fluoro-3-trifluoromethyl-phenyl)-ethylamino]-quShow More⌵

Mol. Formula:
C21H19F4N5O

M.W.:
433.41

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
84.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

MK-2206 2HCl

Name:
8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyShow More⌵

Mol. Formula:
C25H23Cl2N5O

M.W.:
480.40

817 activity values

18 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
89.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4593086

Name:
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S,6S)-4-(3,4-dichlorShow More⌵

Mol. Formula:
C25H27Cl4N5O5

M.W.:
619.33

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
141.65

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4591854

Name:
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S)-4-(4-(trifluoromeShow More⌵

Mol. Formula:
C25H25Cl2F3N4O8

M.W.:
637.40

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.88

Polar Surface Area:
72.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4590906

Name:
5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S,6S)-4-(3,4-dichlorShow More⌵

Mol. Formula:
C24H27Cl4N5O2

M.W.:
559.33