Compounds

ALA5272589

Name:
1-(4-benzhydrylpiperazin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one

Mol. Formula:
C26H25FN2O

M.W.:
400.50

Type:
---

AlogP:
4.77

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5272160

Name:
3-Methoxydebromoaplysiatoxin

Mol. Formula:
C33H50O10

M.W.:
606.75

Type:
---

AlogP:
5.04

Polar Surface Area:
129.98

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5271945

Name:
1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-3-(4-fluorophenyl)prop-2-enShow More⌵

Mol. Formula:
C26H23F3N2O

M.W.:
436.48

Type:
---

AlogP:
5.05

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269438

Name:
1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-3-(2-fluorophenyl)prop-2-enShow More⌵

Mol. Formula:
C26H23F3N2O

M.W.:
436.48

Type:
---

AlogP:
5.05

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269294

Name:
N-(3-(1H-tetrazol-1-yl)phenyl)-1-((3,5,6-trimethylpyrazin-2-yl)methyl)piperShow More⌵

Mol. Formula:
C21H26N8O

M.W.:
406.49

Type:
---

AlogP:
2.23

Polar Surface Area:
101.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5268767

Name:
2-oxo-5,6-benzopyrimidine-4-carboxylic acid

Mol. Formula:
C9H6N2O3

M.W.:
190.16

Type:
---

AlogP:
0.62

Polar Surface Area:
83.05

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5268612

Name:
N-(4-fluorophenyl)-2-({[4-(5-oxopyrrolidin-3-yl)phenyl]sulfonyl}amino)benzaShow More⌵

Mol. Formula:
C23H20FN3O4S

M.W.:
453.50

Type:
---

AlogP:
3.48

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267900

Name:
4-{[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl}benzoic acid

Mol. Formula:
C18H15N3O6S2

M.W.:
433.47

Type:
---

AlogP:
2.38

Polar Surface Area:
142.53

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282148

Name:
3-(benzo[d][1,3]dioxol-5-yl)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazinShow More⌵

Mol. Formula:
C27H25ClN2O3

M.W.:
460.96

Type:
---

AlogP:
5.02

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5282053

Name:
1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-3-(p-tolyl)prop-2-en-1-one

Mol. Formula:
C27H26F2N2O

M.W.:
432.51

Type:
---

AlogP:
5.22

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5274766

Name:
1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-3-(p-tolyl)prop-2-en-1Show More⌵

Mol. Formula:
C27H27ClN2O

M.W.:
430.98

Type:
---

AlogP:
5.60

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5274234

Name:
1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-3-(3-fluorophenyl)prop-2-enShow More⌵

Mol. Formula:
C26H23F3N2O

M.W.:
436.48

Type:
---

AlogP:
5.05

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5272963

Name:
2-(4-carbamoylpiperidin-1-yl)-N-(2-chlorophenyl)-4,7-dioxo-3,4,5,6,7,8-hexaShow More⌵

Mol. Formula:
C20H21ClN6O4

M.W.:
444.88

Type:
---

AlogP:
1.19

Polar Surface Area:
150.28

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5286734

Name:
1-[(1-Benzylpiperidin-4-yl)amino]-3-phenoxypropan-2-ol

Mol. Formula:
C21H28N2O2

M.W.:
340.47

Type:
---

AlogP:
2.68

Polar Surface Area:
44.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5285760

Name:
3-(benzo[d][1,3]dioxol-5-yl)-1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-ylShow More⌵

Mol. Formula:
C27H24F2N2O3

M.W.:
462.50

Type:
---

AlogP:
4.64

Polar Surface Area:
42.01

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5285520

Name:
7-diethylamino-3-thienoylcoumarin

Mol. Formula:
C18H17NO3S

M.W.:
327.40

Type:
---

AlogP:
3.93

Polar Surface Area:
50.52

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5285231

Name:
Anhydrodebromoaplysiatoxin

Mol. Formula:
C32H46O9

M.W.:
574.71

Type:
---

AlogP:
5.34

Polar Surface Area:
120.75

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5284798

Name:
7-methyl-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2,5,6,7,8-hexahydropyriShow More⌵

Mol. Formula:
C21H20N4O4S

M.W.:
424.48

Type:
---

AlogP:
4.64

Polar Surface Area:
104.14

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5289107

Name:
1-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-3-(pyridin-4-yl)prop-2-en-1Show More⌵

Mol. Formula:
C25H23F2N3O

M.W.:
419.48

Type:
---

AlogP:
4.31

Polar Surface Area:
36.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5288826

Name:
3-methyl-2,4-dioxo-N-[3-(tricyclo[3.3.1.1(3,7)]dec-1-yloxy)propyl]-1,2,3,4-Show More⌵

Mol. Formula:
C22H29N3O5S

M.W.:
447.56

Type:
---

AlogP:
1.88

Polar Surface Area:
110.26

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS