Compounds

ALA5272688

Name:
[4-[2-(3,5-dihydroxyphenyl)vinyl]phenyl] (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[Show More⌵

Mol. Formula:
C35H51N5O8

M.W.:
669.82

Type:
---

AlogP:
2.17

Polar Surface Area:
226.33

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5272565

Name:
(3R,4S,5S,6R)-2-((3'-(4-fluorophenyl)-7'-(5-methylfuran-2-yl)-3'H-spiro[cycShow More⌵

Mol. Formula:
C27H30FN3O6S2

M.W.:
575.68

Type:
---

AlogP:
3.98

Polar Surface Area:
132.31

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272516

Name:
6-(bis(2-chloroethyl)amino)-2-(2-(dimethylamino)ethyl)-1H-benzo[de]isoquinoShow More⌵

Mol. Formula:
C20H23Cl2N3O2

M.W.:
408.33

Type:
---

AlogP:
3.28

Polar Surface Area:
43.86

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272469

Name:
((3R,5aS,6R,8aS,9S,11R,11aR)-3,6,9-trimethyloctahydro-3H,11H-3,11-epoxy[1,2Show More⌵

Mol. Formula:
C28H39Cl2NO6

M.W.:
556.53

Type:
---

AlogP:
5.45

Polar Surface Area:
66.46

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5272389

Name:
(R)-3-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-Show More⌵

Mol. Formula:
C27H45NO3

M.W.:
431.66

Type:
---

AlogP:
4.89

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5272301

Name:
Phorbaside D

Mol. Formula:
C35H48ClNO10

M.W.:
678.22

Type:
---

AlogP:
4.16

Polar Surface Area:
131.01

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5272159

Name:
N-(5-phenylthiazol-2-yl)-7-(3,3,3-trifluoro-2,2-dihydroxypropanamido)heptanShow More⌵

Mol. Formula:
C19H22F3N3O4S

M.W.:
445.46

Type:
---

AlogP:
3.06

Polar Surface Area:
111.55

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272085

Name:
((1R,4aS,5R,8aS)-5-((E)-2-((S)-4-hydroxy-2-oxodihydrofuran-3(2H)-ylidene)etShow More⌵

Mol. Formula:
C27H30O6

M.W.:
450.53

Type:
---

AlogP:
3.81

Polar Surface Area:
89.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5272005

Name:
7-(3,3,3-trifluoro-2,2-dihydroxypropanamido)-N-(3,4,5-trimethoxyphenyl)heptShow More⌵

Mol. Formula:
C19H27F3N2O7

M.W.:
452.43

Type:
---

AlogP:
1.96

Polar Surface Area:
126.35

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271734

Name:
N-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dihydroxypropanamido)heptanamide

Mol. Formula:
C16H20F4N2O4

M.W.:
380.34

Type:
---

AlogP:
2.07

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5271727

Name:
2-(5-(2-hydroxyphenyl)-7-oxo-3-phenyl-7,8-dihydropyrazolo[4',3':5,6]pyrano[Show More⌵

Mol. Formula:
C23H12N6O3

M.W.:
420.39

Type:
---

AlogP:
3.49

Polar Surface Area:
151.47

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271635

Name:
N-(6-chlorobenzo[d]thiazol-2-yl)-7-(3,3,3-trifluoro-2,2-dihydroxypropanamidShow More⌵

Mol. Formula:
C17H19ClF3N3O4S

M.W.:
453.87

Type:
---

AlogP:
3.20

Polar Surface Area:
111.55

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5271494

Name:
6-amino-4-(4-oxo-4H-chromen-3-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazoleShow More⌵

Mol. Formula:
C22H14N4O3

M.W.:
382.38

Type:
---

AlogP:
3.40

Polar Surface Area:
117.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5271342

Name:
4-(((6S)-2-allyl-1-(benzylcarbamoyl)-8-((2-methyl-2H-indazol-7-yl)methyl)-4Show More⌵

Mol. Formula:
C33H38N7O6P

M.W.:
659.68

Type:
---

AlogP:
3.25

Polar Surface Area:
143.71

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5271232

Name:
Altersteroid C

Mol. Formula:
C28H40O5

M.W.:
456.62

Type:
---

AlogP:
4.53

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271199

Name:
7-(3,3,3-trifluoro-2,2-dihydroxypropanamido)-N-(2,4,6-trifluorophenyl)heptaShow More⌵

Mol. Formula:
C16H18F6N2O4

M.W.:
416.32

Type:
---

AlogP:
2.35

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271196

Name:
Neothioviridamide; Thioholgamide A

Mol. Formula:
C56H85N14O10S6+

M.W.:
1306.79

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271041

Name:
(3S,8R,10R,12R,14R)-12-hydroxy-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,Show More⌵

Mol. Formula:
C32H54O4

M.W.:
502.78

Type:
---

AlogP:
7.07

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270804

Name:
(3S,3'R,4'S)-4'-(2-chlorophenyl)-3'-(4-hydroxy-2-oxo-1,2-dihydroquinoline-3Show More⌵

Mol. Formula:
C33H24ClN3O4

M.W.:
562.03

Type:
---

AlogP:
5.66

Polar Surface Area:
111.29

HBA:
5

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5270714

Name:
Methyl (R)-3-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecShow More⌵

Mol. Formula:
C24H40O3

M.W.:
376.58

Type:
---

AlogP:
5.21

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS