Compounds

ALA5272318

Name:
7-chloro-2-(2-chloro-3,4-dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-Show More⌵

Mol. Formula:
C19H16Cl2O3

M.W.:
363.24

Type:
---

AlogP:
5.22

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5272177

Name:
2-(2-bromo-3,4,5-trimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C20H19BrO4

M.W.:
403.27

Type:
---

AlogP:
4.69

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271724

Name:
7-bromo-2-(2-chloro-3-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C18H14BrClO2

M.W.:
377.67

Type:
---

AlogP:
5.32

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5271589

Name:
2-(2-chloro-3,4-dimethoxybenzylidene)-5,8-dimethoxy-3,4-dihydronaphthalen-1Show More⌵

Mol. Formula:
C21H21ClO5

M.W.:
388.85

Type:
---

AlogP:
4.59

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5271441

Name:
2-(2-chloro-3-methoxybenzylidene)-4-methyl-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C19H17ClO2

M.W.:
312.80

Type:
---

AlogP:
5.12

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5271106

Name:
3,5-Bis(2-bromo-3,4,5-trimethoxy-benzylidene)-1-methyl-piperidin-4-one-O-(2Show More⌵

Mol. Formula:
C32H43Br2N3O7

M.W.:
741.52

Type:
---

AlogP:
6.39

Polar Surface Area:
83.45

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270841

Name:
2-(2-chloro-3,4-dimethoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)Show More⌵

Mol. Formula:
C20H19ClO4

M.W.:
358.82

Type:
---

AlogP:
4.58

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5270225

Name:
2-(2-chloro-3-methoxybenzylidene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C18H14ClFO2

M.W.:
316.76

Type:
---

AlogP:
4.70

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5270184

Name:
2-(2-chloro-3,4-dimethoxybenzylidene)-5-hydroxy-3,4-dihydronaphthalen-1(2H)Show More⌵

Mol. Formula:
C19H17ClO4

M.W.:
344.79

Type:
---

AlogP:
4.28

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5268411

Name:
2-(2-bromo-3,4,5-trimethoxybenzylidene)-7-chloro-3,4-dihydronaphthalen-1(2HShow More⌵

Mol. Formula:
C20H18BrClO4

M.W.:
437.72

Type:
---

AlogP:
5.34

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5268407

Name:
2-(2-chloro-3-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C18H15ClO2

M.W.:
298.77

Type:
---

AlogP:
4.56

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5267843

Name:
(S)-2-amino-4-((4-chlorophenyl)carbamoyl)pent-4-enoic acid

Mol. Formula:
C12H13ClN2O3

M.W.:
268.70

Type:
---

AlogP:
1.64

Polar Surface Area:
92.42

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5267806

Name:
2-(2-Chloro-3,4-dimethoxy-benzylidene)-8-nitro-tetralone

Mol. Formula:
C19H16ClNO5

M.W.:
373.79

Type:
---

AlogP:
4.48

Polar Surface Area:
78.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5282265

Name:
2-(2-Bromo-3,4,5-trimethoxy-benzylidene)-7,8-dimethoxy-tetralone

Mol. Formula:
C22H23BrO6

M.W.:
463.32

Type:
---

AlogP:
4.70

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5281589

Name:
2-(2-chloro-3,4-dimethoxybenzylidene)-7-nitro-3,4-dihydronaphthalen-1(2H)-oShow More⌵

Mol. Formula:
C19H17ClN2O5

M.W.:
388.81

Type:
---

AlogP:
4.47

Polar Surface Area:
94.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281240

Name:
7-bromo-2-(2-bromo-3,4,5-trimethoxybenzylidene)-3,4-dihydronaphthalen-1(2H)Show More⌵

Mol. Formula:
C20H18Br2O4

M.W.:
482.17

Type:
---

AlogP:
5.45

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281118

Name:
2-(2-bromo-3,4,5-trimethoxybenzylidene)-7-nitro-3,4-dihydronaphthalen-1(2H)Show More⌵

Mol. Formula:
C20H19BrN2O6

M.W.:
463.28

Type:
---

AlogP:
4.59

Polar Surface Area:
103.42

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5280878

Name:
6-methoxy-2-(3-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Mol. Formula:
C19H17ClO3

M.W.:
328.80

Type:
---

AlogP:
4.57

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5280752

Name:
3,5-Bis(2-bromo-3,4,5-trimethoxy-benzylidene)-1-methyl-cyclohexanone O-2-(dShow More⌵

Mol. Formula:
C33H44Br2N2O7

M.W.:
740.53

Type:
---

AlogP:
7.87

Polar Surface Area:
80.21

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5280635

Name:
3-ethyl-5-methyl-N-(4-morpholinophenethyl)-1H-indole-2-carboxamide

Mol. Formula:
C24H29N3O2

M.W.:
391.52

Type:
---

AlogP:
3.85

Polar Surface Area:
57.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS