Compounds

ALA5272037

Name:
(R)-2-(carboxycarbonyl)-7-(((4-hydroxybenzyl)amino)methyl)-4,5,6,7-tetrahydShow More⌵

Mol. Formula:
C18H18N2O6S

M.W.:
390.42

Type:
---

AlogP:
1.40

Polar Surface Area:
135.96

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271832

Name:
4-(piperidin-1-yl)butyl (4R,4aS,6aR,9S,11aR,11bS)-4,9,11b-trimethyl-8-oxoteShow More⌵

Mol. Formula:
C29H47NO3

M.W.:
457.70

Type:
---

AlogP:
6.17

Polar Surface Area:
46.61

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271440

Name:
((((tosylazanediyl)bis(methylene))bis(4,1-phenylene))bis(1,1-difluoro-2-oxoShow More⌵

Mol. Formula:
C25H23F4NO10P2S

M.W.:
667.46

Type:
---

AlogP:
4.29

Polar Surface Area:
186.58

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5271436

Name:
methyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(hydroxyimino)-4,9,11b-trimethyltetradShow More⌵

Mol. Formula:
C21H33NO3

M.W.:
347.50

Type:
---

AlogP:
4.79

Polar Surface Area:
58.89

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5271227

Name:
(((2,2-bis(2-phenylacetyl)propane-1,3-diyl)bis(4,1-phenylene))bis(difluoromShow More⌵

Mol. Formula:
C33H30F4O8P2

M.W.:
692.54

Type:
---

AlogP:
6.54

Polar Surface Area:
149.20

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5270520

Name:
(2-bromo-6-(bromomethyl)-3,4-dimethoxyphenyl)(2,3-dibromo-4,5-dimethoxyphenShow More⌵

Mol. Formula:
C18H16Br4O5

M.W.:
631.94

Type:
---

AlogP:
6.13

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269933

Name:
2-((2-(hexadecyloxy)phenyl)carbamoyl)nicotinic acid

Mol. Formula:
C29H42N2O4

M.W.:
482.67

Type:
---

AlogP:
7.89

Polar Surface Area:
88.52

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5269879

Name:
4-(2-(3,5-bis(3-(4-(difluoro(phosphono)methyl)phenyl)propanamido)benzamido)Show More⌵

Mol. Formula:
C36H35F4N3O11P2

M.W.:
823.63

Type:
---

AlogP:
5.95

Polar Surface Area:
239.66

HBA:
6

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5269314

Name:
4-((5-(4-(benzyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)mShow More⌵

Mol. Formula:
C26H21NO5S2

M.W.:
491.59

Type:
---

AlogP:
5.37

Polar Surface Area:
76.07

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5268825

Name:
(S)-((4-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(benzo[d]thiazol-2-yl)-4-phenShow More⌵

Mol. Formula:
C30H23F2N4O3PS

M.W.:
588.58

Type:
---

AlogP:
6.97

Polar Surface Area:
101.13

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268592

Name:
2-chlorobenzyl (4R,4aS,6aR,9S,11aR,11bS)-4,9,11b-trimethyl-8-oxotetradecahyShow More⌵

Mol. Formula:
C27H35ClO3

M.W.:
443.03

Type:
---

AlogP:
6.76

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5268430

Name:
5-(4-(cyclohexylmethyl)-2-fluoro-6-hydroxyphenyl)-1,2,5-thiadiazolidin-3-onShow More⌵

Mol. Formula:
C15H19FN2O4S

M.W.:
342.39

Type:
---

AlogP:
1.84

Polar Surface Area:
86.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5267772

Name:
2-chloro-6-(4-(1,1-dioxido-4-oxo-1,2,5-thiadiazolidin-2-yl)-3-hydroxybenzylShow More⌵

Mol. Formula:
C16H15ClN2O7S2

M.W.:
446.89

Type:
---

AlogP:
1.16

Polar Surface Area:
130.08

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5282419

Name:
(S)-2-(4-(5-methyl-1-(4-octylphenyl)-1H-pyrrol-2-yl)phenoxy)-3-phenylpropanShow More⌵

Mol. Formula:
C34H39NO3

M.W.:
509.69

Type:
---

AlogP:
8.43

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5281667

Name:
(5S,7S,8S)-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronShow More⌵

Mol. Formula:
C20H30O2

M.W.:
302.46

Type:
---

AlogP:
5.03

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5281085

Name:
3,3'-((2-(4-carboxyphenyl)-1H-imidazole-4,5-diyl)bis(4,1-phenylene))diacrylShow More⌵

Mol. Formula:
C28H20N2O6

M.W.:
480.48

Type:
---

AlogP:
5.30

Polar Surface Area:
140.58

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5279725

Name:
(S)-4-(((R)-1-amino-3-(4-(difluoro(phosphono)methyl)phenyl)-1-oxopropan-2-yShow More⌵

Mol. Formula:
C23H25F4N3O11P2

M.W.:
657.40

Type:
---

AlogP:
0.86

Polar Surface Area:
253.65

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5279220

Name:
ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(methoxyimino)-4,9,11b-trimethyltetradeShow More⌵

Mol. Formula:
C23H37NO3

M.W.:
375.55

Type:
---

AlogP:
5.35

Polar Surface Area:
47.89

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5278790

Name:
2-(carboxyformamido)-6-(((1,1-dioxidobenzo[d]isothiazol-3-yl)oxy)methyl)-6,Show More⌵

Mol. Formula:
C18H14N2O9S2

M.W.:
466.45

Type:
---

AlogP:
1.08

Polar Surface Area:
168.66

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5278704

Name:
4-methylbenzyl (4R,4aS,6aR,9S,11aR,11bS)-4,9,11b-trimethyl-8-oxotetradecahyShow More⌵

Mol. Formula:
C28H38O3

M.W.:
422.61

Type:
---

AlogP:
6.41

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS