Compounds

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4576647

Name:
(1S,2S)-2-{5-[(3-Chloro-4-fluorophenyl)(cyclopropylmethyl)amino]-3-methoxypShow More⌵

Mol. Formula:
C21H20ClFN2O4

M.W.:
418.85

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4574439

Name:
(1S,2S)-2-{5-[(5-Chloro-2,4-difluorophenyl)(2-methylpropyl)amino]-3-methoxyShow More⌵

Mol. Formula:
C21H21ClF2N2O4

M.W.:
438.86

Type:
Unknown

AlogP:
4.72

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4574370

Name:
(1S,2S)-2-(3-Methoxy-5-{(2-methylpropyl)[3-(trifluoromethyl)phenyl]amino}pyShow More⌵

Mol. Formula:
C22H23F3N2O4

M.W.:
436.43

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4567339

Name:
(1S,2S)-2-(5-{(Cyclopropylmethyl)[3-(trifluoromethyl)phenyl]amino}-3-methoxShow More⌵

Mol. Formula:
C22H21F3N2O4

M.W.:
434.41

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4567083

Name:
(1S,2S)-2-(5-{[2-Fluoro-5-(trifluoromethyl)phenyl](2-methylpropyl)amino}-3-Show More⌵

Mol. Formula:
C21H21F4N3O4

M.W.:
455.41

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
92.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4565235

Name:
5-{5-[(4-Chloronaphthalen-1-yl)(cyclopropylmethyl)amino]-3-methoxypyridin-2Show More⌵

Mol. Formula:
C25H25ClN2O4

M.W.:
452.94

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4565208

Name:
(1S,2S)-2-(5-{[(4-Fluorophenyl)methyl][3-(trifluoromethyl)phenyl]amino}-3-mShow More⌵

Mol. Formula:
C25H20F4N2O4

M.W.:
488.44

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4563433

Name:
(1S,2S)-2-{5-[(4-Fluoronaphthalen-1-yl)(propyl)amino]-3-methoxypyridine-2-cShow More⌵

Mol. Formula:
C24H23FN2O4

M.W.:
422.46

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4562583

Name:
(1S,2S)-2-{5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-Show More⌵

Mol. Formula:
C21H20ClF3N2O4

M.W.:
456.85

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4549822

Name:
(1S,2S)-2-{5-[(5-Chloro-2,4-difluorophenyl)(2-methylpropyl)amino]-3-methoxyShow More⌵

Mol. Formula:
C20H20ClF2N3O4

M.W.:
439.85

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
92.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4545950

Name:
(1S,2S)-2-(5-{(Cyclopropylmethyl)[2-fluoro-5-(trifluoromethyl)phenyl]amino}Show More⌵

Mol. Formula:
C22H20F4N2O4

M.W.:
452.40

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4545014

Name:
(1S,2S)-2-{5-[(5-Chloro-2,4-difluorophenyl)(cyclopropylmethyl)amino]-3-methShow More⌵

Mol. Formula:
C21H19ClF2N2O4

M.W.:
436.84

Type:
Unknown

AlogP:
4.47

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4531985

Name:
(1S,2S)-2-(5-{Ethyl[3-(trifluoromethyl)phenyl]amino}-3-methoxypyridine-2-caShow More⌵

Mol. Formula:
C20H19F3N2O4

M.W.:
408.38

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4525972

Name:
(1S,2S)-2-(5-((cyclopropylmethyl)(naphthalen-1-yl)amino)-4-methoxypyrimidinShow More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
92.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4476024

Name:
(1S,2S)-2-{5-[Ethyl(4-fluoronaphthalen-1-yl)amino]-3-methoxypyridine-2-carbShow More⌵

Mol. Formula:
C23H21FN2O4

M.W.:
408.43

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4467942

Name:
(1S,2S)-2-{5-[(5-Chloro-2-fluorophenyl)(cyclopropylmethyl)amino]-3-methoxypShow More⌵

Mol. Formula:
C21H20ClFN2O4

M.W.:
418.85

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4466708

Name:
(1S,2S)-2-(5-{(2-Hydroxy-2-methylpropyl)[3-(trifluoromethyl)phenyl]amino}-3Show More⌵

Mol. Formula:
C22H23F3N2O5

M.W.:
452.43

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
99.96

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4465323

Name:
Trans-2-{5-[(4-Chlorophenyl)(cyclopropylmethyl)amino]-3-methoxypyridine-2-cShow More⌵

Mol. Formula:
C21H21ClN2O4

M.W.:
400.86

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
79.73

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4464773

Name:
(1S,2S)-2-{5-[(4-Fluoronaphthalen-1-yl)(2-methylpropyl)amino]-3-methoxypyriShow More⌵

Mol. Formula:
C25H25FN2O4

M.W.:
436.48