Compounds

ALA5267644

Name:
5-fluoro-N,N-diisopropyl-2-((4-(7-(((1r,4r)-4-(methylsulfonamido)cyclohexylShow More⌵

Mol. Formula:
C32H47FN6O4S

M.W.:
630.83

Type:
---

AlogP:
4.68

Polar Surface Area:
107.97

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267490

Name:
(3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]Show More⌵

Mol. Formula:
C38H46N4O7

M.W.:
670.81

Type:
---

AlogP:
6.28

Polar Surface Area:
122.17

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5267107

Name:
N-(5-(1-(2-Chlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-4-morphShow More⌵

Mol. Formula:
C28H25ClN6O2

M.W.:
513.00

Type:
---

AlogP:
5.22

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5267021

Name:
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-(5-(1-(2,6-dichlorobenzyl)-1H-beShow More⌵

Mol. Formula:
C29H24Cl2N6O2

M.W.:
559.46

Type:
---

AlogP:
6.01

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5266280

Name:
7-((4-(4-Aminopiperidin-1-yl)phenyl)amino)-3-(2,6-dichlorophenyl)pyrido[4,3Show More⌵

Mol. Formula:
C24H22Cl2N6O

M.W.:
481.39

Type:
---

AlogP:
4.76

Polar Surface Area:
89.07

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5266233

Name:
N-(4-(2-(2-(4-(bis(2-chloroethyl)amino)benzylidene)hydrazineyl)thiazol-4-ylShow More⌵

Mol. Formula:
C27H24Cl2N6O2S2

M.W.:
599.57

Type:
---

AlogP:
6.21

Polar Surface Area:
110.48

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5265973

Name:
N-(5-(1-(2,6-Dichlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-4-(Show More⌵

Mol. Formula:
C28H27Cl2N7O

M.W.:
548.48

Type:
---

AlogP:
6.01

Polar Surface Area:
90.87

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5265935

Name:
N-(5-(1-(2,6-Dichlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-4-(Show More⌵

Mol. Formula:
C29H29Cl2N7O

M.W.:
562.51

Type:
---

AlogP:
6.03

Polar Surface Area:
82.08

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5282452

Name:
(1R,5S)-3-(2-hydroxy-5-phenylpentyl)-1,5-dimethyl-1,2,3,4,5,6-hexahydro-8H-Show More⌵

Mol. Formula:
C24H32N2O2

M.W.:
380.53

Type:
---

AlogP:
3.22

Polar Surface Area:
45.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5282421

Name:
4-{[(4-chlorophenyl)methyl]amino}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dihyShow More⌵

Mol. Formula:
C21H18ClN3O2

M.W.:
379.85

Type:
---

AlogP:
5.07

Polar Surface Area:
70.92

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282138

Name:
N4-isopropyl-N2-(3-(pyridin-3-yl)phenyl)pyrimidine-2,4-diamine

Mol. Formula:
C18H19N5

M.W.:
305.39

Type:
---

AlogP:
4.10

Polar Surface Area:
62.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5282089

Name:
3-(2,6-Dichlorophenyl)-7-((5-((3S,5R)-3,5-dimethylpiperazin-1-yl)pyridin-2-Show More⌵

Mol. Formula:
C24H23Cl2N7O

M.W.:
496.40

Type:
---

AlogP:
4.41

Polar Surface Area:
87.97

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5281235

Name:
(3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2Show More⌵

Mol. Formula:
C37H44N4O7

M.W.:
656.78

Type:
---

AlogP:
6.32

Polar Surface Area:
133.03

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5281177

Name:
N5-(4-aminobutyl)-3-cyclopentyl-N7-(3-(morpholinomethyl)benzyl)pyrazolo[1,5Show More⌵

Mol. Formula:
C27H39N7O

M.W.:
477.66

Type:
---

AlogP:
3.98

Polar Surface Area:
92.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5281125

Name:
N-(5-(1-(2,6-Dichlorobenzyl)-1H-benzo[d]imidazol-6-yl)-1H-pyrazol-3-yl)-4-mShow More⌵

Mol. Formula:
C28H24Cl2N6O2

M.W.:
547.45

Type:
---

AlogP:
5.87

Polar Surface Area:
88.07

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5280986

Name:
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-1,2-dihydroquinolin-2-one

Mol. Formula:
C14H12N2O3

M.W.:
256.26

Type:
---

AlogP:
2.51

Polar Surface Area:
79.12

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5280543

Name:
3-(2,6-Dichlorophenyl)-7-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)pyrShow More⌵

Mol. Formula:
C23H21Cl2N7O

M.W.:
482.38

Type:
---

AlogP:
3.98

Polar Surface Area:
79.18

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5280349

Name:
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-{[(3-methoxyphenyl)methyl]amino}-1,2-dihShow More⌵

Mol. Formula:
C22H21N3O3

M.W.:
375.43

Type:
---

AlogP:
4.42

Polar Surface Area:
80.15

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5280039

Name:
7-(3,5-dimethyl-1,2-oxazol-4-yl)-4-phenyl-1,2-dihydroquinolin-2-one

Mol. Formula:
C20H16N2O2

M.W.:
316.36

Type:
---

AlogP:
4.47

Polar Surface Area:
58.89

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5279987

Name:
1-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4Show More⌵

Mol. Formula:
C78H96Cl2N14O13S3

M.W.:
1604.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS