Compounds

ALA5272708

Name:
(S)-1-(fluoromethyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(3-hShow More⌵

Mol. Formula:
C42H64FNO4

M.W.:
665.98

Type:
---

AlogP:
8.82

Polar Surface Area:
78.79

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5272615

Name:
5-((2-chloro-7-methoxyquinolin-3-yl)methylene)-3-phenethylimidazolidine-2,4Show More⌵

Mol. Formula:
C22H18ClN3O3

M.W.:
407.86

Type:
---

AlogP:
4.03

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272479

Name:
(4S)-4-hydroxy-3-(2-((1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethShow More⌵

Mol. Formula:
C21H35NO4

M.W.:
365.51

Type:
---

AlogP:
1.96

Polar Surface Area:
81.00

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272190

Name:
(E)-3-(4-((2-((1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl)amino)thieno[3,Show More⌵

Mol. Formula:
C28H24F2N6O3S

M.W.:
562.60

Type:
---

AlogP:
6.90

Polar Surface Area:
117.21

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5272026

Name:
2-fluoro-4-((4-((4'-fluoro-3,5-dimethyl-[1,1'-biphenyl]-4-yl)oxy)thieno[3,2Show More⌵

Mol. Formula:
C27H18F2N4OS

M.W.:
484.53

Type:
---

AlogP:
7.66

Polar Surface Area:
70.83

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271996

Name:
3beta-hydroxyergosta-8,14,24(28)-trien-7-one

Mol. Formula:
C28H42O2

M.W.:
410.64

Type:
---

AlogP:
6.80

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5271451

Name:
(S)-1-(fluoromethyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(4-hShow More⌵

Mol. Formula:
C45H71FN2O5S

M.W.:
771.14

Type:
---

AlogP:
8.85

Polar Surface Area:
106.94

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5271405

Name:
(S)-1-(fluoromethyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(isopenShow More⌵

Mol. Formula:
C42H66FNO2

M.W.:
635.99

Type:
---

AlogP:
10.72

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5270864

Name:
(S)-1-(((1R,2R)-1-(2-((4-chloro-3-fluorophenyl)amino)-2-oxoacetamido)-2-(guShow More⌵

Mol. Formula:
C30H32ClF7N6O8

M.W.:
773.06

Type:
---

AlogP:
2.23

Polar Surface Area:
160.64

HBA:
5

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5270739

Name:
(E)-3-(4-((2-((1-(4-amino-2-fluorophenyl)piperidin-4-yl)amino)thieno[2,3-d]Show More⌵

Mol. Formula:
C28H27FN6OS

M.W.:
514.63

Type:
---

AlogP:
6.44

Polar Surface Area:
100.09

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5270389

Name:
6-isohexyl-4-methoxy-3-methyl-pyran-2-one

Mol. Formula:
C13H20O3

M.W.:
224.30

Type:
---

AlogP:
2.94

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5270022

Name:
(S)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-((cis)-1,4-dihydroxy-Show More⌵

Mol. Formula:
C46H72FNO4

M.W.:
722.08

Type:
---

AlogP:
10.12

Polar Surface Area:
89.79

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5269930

Name:
3-benzyl-5-((2-chloroquinolin-3-yl)methylene)imidazolidine-2,4-dione

Mol. Formula:
C20H14ClN3O2

M.W.:
363.80

Type:
---

AlogP:
3.98

Polar Surface Area:
62.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5269871

Name:
(S)-1-(fluoromethyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,Show More⌵

Mol. Formula:
C44H68FNO3

M.W.:
678.03

Type:
---

AlogP:
10.49

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5269813

Name:
(E)-3-(4-((2-((1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl)amino)thieno[2,Show More⌵

Mol. Formula:
C28H24F2N6O3S

M.W.:
562.60

Type:
---

AlogP:
6.90

Polar Surface Area:
117.21

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5269727

Name:
5-(2-(N-(tert-butyl)sulfamoyl)-4-methylphenyl)-N-(4-methoxyphenyl)nicotinamShow More⌵

Mol. Formula:
C24H27N3O4S

M.W.:
453.56

Type:
---

AlogP:
4.39

Polar Surface Area:
97.39

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5269386

Name:
N-(4-methoxyphenyl)-2'-(N-(2,4,4-trimethylpentan-2-yl)sulfamoyl)-[1,1'-biphShow More⌵

Mol. Formula:
C28H34N2O4S

M.W.:
494.66

Type:
---

AlogP:
6.11

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5269144

Name:
(2S)-1-[[(1R,2R)-1-[[2-(4-chloro-3-fluoro-anilino)-2-oxo-acetyl]amino]-2-(gShow More⌵

Mol. Formula:
C29H30ClF7N6O8

M.W.:
759.03

Type:
---

AlogP:
1.98

Polar Surface Area:
160.64

HBA:
5

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5269012

Name:
3-(4-(2'-(N-(tert-butyl)sulfamoyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)proShow More⌵

Mol. Formula:
C26H28N2O5S

M.W.:
480.59

Type:
---

AlogP:
4.70

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5268909

Name:
Phomopsone A

Mol. Formula:
C17H22O5

M.W.:
306.36

Type:
---

AlogP:
1.66

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS