Compounds

ALA5272625

Name:
4-(2-(5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)vinyl)-2-methoxyphenol

Mol. Formula:
C17H12Cl2N2O3

M.W.:
363.20

Type:
---

AlogP:
4.93

Polar Surface Area:
68.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272511

Name:
2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-one hydrazone

Mol. Formula:
C24H31N3O2

M.W.:
393.53

Type:
---

AlogP:
3.84

Polar Surface Area:
60.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272491

Name:
N-[(Z)-[2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-indan-1-ylidene]aminShow More⌵

Mol. Formula:
C43H45ClN4O5

M.W.:
733.31

Type:
---

AlogP:
7.86

Polar Surface Area:
94.39

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5272435

Name:
Diaportheone A1

Mol. Formula:
C18H22N2O4

M.W.:
330.38

Type:
---

AlogP:
2.02

Polar Surface Area:
71.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5272229

Name:
(1S,3R)-1-(3,4-dimethoxyphenyl)-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indShow More⌵

Mol. Formula:
C21H22N2O4

M.W.:
366.42

Type:
---

AlogP:
2.88

Polar Surface Area:
72.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5272095

Name:
2-(4-(2-(pyrrolidin-1-yl)ethoxy)benzylidene)benzofuran-3(2H)-one

Mol. Formula:
C21H21NO3

M.W.:
335.40

Type:
---

AlogP:
3.78

Polar Surface Area:
38.77

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5271985

Name:
2-methyl-6-phenoxy-4H-chromen-4-one

Mol. Formula:
C16H12O3

M.W.:
252.27

Type:
---

AlogP:
3.89

Polar Surface Area:
39.44

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5271815

Name:
Geissoschizine methyl ether

Mol. Formula:
C22H26N2O3

M.W.:
366.46

Type:
---

AlogP:
3.74

Polar Surface Area:
54.56

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5271146

Name:
(3R,3aS,6R,6aR)-2-(2-acetamido-6-chloro-9H-purin-9-yl)-6-hydroxy-5-oxohexahShow More⌵

Mol. Formula:
C15H14ClN5O7

M.W.:
411.76

Type:
---

AlogP:
-0.45

Polar Surface Area:
154.76

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5270788

Name:
2-(4-methoxyphenyl)-9-methyl-pyrido[3,4-b]indol-2-ium

Mol. Formula:
C19H17N2O+

M.W.:
289.36

Type:
---

AlogP:
3.62

Polar Surface Area:
18.04

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5270248

Name:
N-(2-(1-(2-fluorobenzyl)piperidin-4-yl)ethyl)-6-hydroxy-2,5,7,8-tetramethylShow More⌵

Mol. Formula:
C28H37FN2O3

M.W.:
468.61

Type:
---

AlogP:
4.96

Polar Surface Area:
61.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5269984

Name:
4-(1-(methylamino)-3-(4-nitrophenoxy)propyl)phenyl ethyl(methyl)carbamate

Mol. Formula:
C20H25N3O5

M.W.:
387.44

Type:
---

AlogP:
3.77

Polar Surface Area:
93.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5269238

Name:
4-(2-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)vinyl)-2-methoxyphenol

Mol. Formula:
C17H13FN2O3

M.W.:
312.30

Type:
---

AlogP:
3.76

Polar Surface Area:
68.38

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5269148

Name:
2-(2,4-dibromophenyl)-9-methyl-3,4-dihydropyrido[3,4-b]indol-2-ium

Mol. Formula:
C18H15Br2N2+

M.W.:
419.14

Type:
---

AlogP:
5.02

Polar Surface Area:
7.94

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5268897

Name:
(+/-)36b-3-chloro-N-(3-(4-((5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl)Show More⌵

Mol. Formula:
C38H50Cl3N3O2

M.W.:
687.20

Type:
---

AlogP:
8.61

Polar Surface Area:
46.62

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5268811

Name:
N-((1-benzylpiperidin-4-yl)methyl)-4-methoxyaniline

Mol. Formula:
C20H26N2O

M.W.:
310.44

Type:
---

AlogP:
4.02

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5268805

Name:
2-(3-chlorophenyl)-6-((2-(4-(trifluoromethyl)phenyl)hydrazineylidene)methylShow More⌵

Mol. Formula:
C25H14ClF3N2O3

M.W.:
482.85

Type:
---

AlogP:
7.32

Polar Surface Area:
67.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5268019

Name:
1-benzoyl-N-(4-methoxyphenyl)piperidine-4-carboxamide

Mol. Formula:
C20H22N2O3

M.W.:
338.41

Type:
---

AlogP:
3.19

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5282524

Name:
2-(4-iodophenyl)-9-methyl-pyrido[3,4-b]indol-2-ium

Mol. Formula:
C18H14IN2+

M.W.:
385.23

Type:
---

AlogP:
4.21

Polar Surface Area:
8.81

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5282182

Name:
1-(2-oxobutyl)-3-(6-(3,6,7-trihydroxy-5,8-dimethoxy-4-oxo-4H-chromen-2-yl)bShow More⌵

Mol. Formula:
C23H21N3O9S

M.W.:
515.50

Type:
---

AlogP:
3.30

Polar Surface Area:
180.45

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS