Compounds

ALA5267680

Name:
3-(5-(tert-butyl)-2-(2-(piperazin-1-yl)ethoxy)phenyl)-3-(5-(tert-butyl)-2-hShow More⌵

Mol. Formula:
C34H43N3O3

M.W.:
541.74

Type:
---

AlogP:
5.56

Polar Surface Area:
73.83

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5267665

Name:
(2S)-2-[[(1S)-4-amino-1-[5-[(1S)-1-amino-2-hydroxy-propyl]-1,3,4-oxadiazol-Show More⌵

Mol. Formula:
C14H24N6O7

M.W.:
388.38

Type:
---

AlogP:
-2.11

Polar Surface Area:
226.92

HBA:
9

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5267619

Name:
4-{4-Isobutyryl-1-[3-(4-octylphenoxy)-2-oxopropyl]pyrrol-2-yl}butyric acid

Mol. Formula:
C29H41NO5

M.W.:
483.65

Type:
---

AlogP:
6.29

Polar Surface Area:
85.60

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5267616

Name:
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-[[(6R,8S)-3,3,6-trideutShow More⌵

Mol. Formula:
C33H31F3N6O2

M.W.:
603.66

Type:
---

AlogP:
4.71

Polar Surface Area:
86.64

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5267603

Name:
Inonotsuoxodiol A

Mol. Formula:
C30H48O3

M.W.:
456.71

Type:
---

AlogP:
6.63

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5267601

Name:
(3R,5aS,6R,8aS,9R,10R,12S,12aR)-3,6,9-trimethyl-10-(phenylthio)decahydro-12Show More⌵

Mol. Formula:
C21H28O4S

M.W.:
376.52

Type:
---

AlogP:
4.99

Polar Surface Area:
36.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267584

Name:
N-(5-bromopyridin-2-yl)-2-((6-(2-chloroacetamido)benzo[d]thiazol-2-yl)thio)Show More⌵

Mol. Formula:
C16H12BrClN4O2S2

M.W.:
471.79

Type:
---

AlogP:
4.36

Polar Surface Area:
83.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5267571

Name:
4-(2,1,3-benzoxadiazol-4-yl)-6-(4-methylmorpholin-2-yl)-4,7-dihydro-2H-pyraShow More⌵

Mol. Formula:
C18H17N7O2

M.W.:
363.38

Type:
---

AlogP:
1.61

Polar Surface Area:
115.89

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5267568

Name:
5-methoxy-2-(4-methoxyphenyl)-N-(2-morpholinoethyl)quinazolin-4-amine

Mol. Formula:
C22H26N4O3

M.W.:
394.48

Type:
---

AlogP:
3.06

Polar Surface Area:
68.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5267561

Name:
2-(1H-benzo[d]imidazol-1-yl)-7-methoxy-4H-chromen-4-one

Mol. Formula:
C17H12N2O3

M.W.:
292.29

Type:
---

AlogP:
3.14

Polar Surface Area:
57.26

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5267543

Name:
Lespecyrtin E3

Mol. Formula:
C30H36O5

M.W.:
476.61

Type:
---

AlogP:
6.83

Polar Surface Area:
68.15

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5267535

Name:
(3S,11R)-3-(7-(dimethylamino)-2-methylhepta-1,3,5-trienyl)-9,11-dimethyl-4,Show More⌵

Mol. Formula:
C29H40N2O4S

M.W.:
512.72

Type:
---

AlogP:
5.77

Polar Surface Area:
68.73

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5267512

Name:
N-[(1S)-2,2-dicyclopropyl-1-{3-[(3R)-4-(5,5-difluorooxane-2-carbonyl)morphoShow More⌵

Mol. Formula:
C27H32F2N8O5

M.W.:
586.60

Type:
---

AlogP:
2.44

Polar Surface Area:
149.87

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5267495

Name:
Kibdelomycin

Mol. Formula:
C44H62Cl2N4O14

M.W.:
941.90

Type:
---

AlogP:
4.39

Polar Surface Area:
258.50

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5267476

Name:
4,4,6-trimethyl-5-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,5-triazin-2-amineShow More⌵

Mol. Formula:
C25H27ClN4O

M.W.:
434.97

Type:
---

AlogP:
5.22

Polar Surface Area:
63.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5267468

Name:
6-((4-methoxyphenyl)amino)-[1,2,5]oxadiazolo[3,4-b]pyridin-5-ol

Mol. Formula:
C12H10N4O3

M.W.:
258.24

Type:
---

AlogP:
2.08

Polar Surface Area:
93.30

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267448

Name:
((R)-11-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)-9-methyl-1,Show More⌵

Mol. Formula:
C27H27F4N5O2

M.W.:
529.54

Type:
---

AlogP:
5.10

Polar Surface Area:
70.59

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5267406

Name:
(R)-3-(4-fluorophenyl)-N-(1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl)acrylamiShow More⌵

Mol. Formula:
C24H23FN2O

M.W.:
374.46

Type:
---

AlogP:
4.38

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5267398

Name:
N-[(S)-(4,4-difluorocyclohexyl)({3-[(3R)-4-[(2S)-5,5-difluorooxane-2-carbonShow More⌵

Mol. Formula:
C26H30F4N8O5

M.W.:
610.57

Type:
---

AlogP:
2.83

Polar Surface Area:
149.87

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5267387

Name:

Mol. Formula:
C30H36O9

M.W.:
540.61

Type:
---

AlogP:
5.00

Polar Surface Area:
110.50

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS