Compounds

ALA5272690

Name:
Methyl 4-(2-hydroxy-1,4-dioxo-3-undecyl-1,4-dihydroacridin-9-yl)benzoate

Mol. Formula:
C32H35NO5

M.W.:
513.63

Type:
---

AlogP:
7.80

Polar Surface Area:
93.56

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5272604

Name:
2-Hydroxy-9-(3,4-dimethylphenyl)-3-undecylacridine-1,4-dione

Mol. Formula:
C32H37NO3

M.W.:
483.65

Type:
---

AlogP:
8.63

Polar Surface Area:
67.26

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5272383

Name:
2-Hydroxy-9-(4-nitrophenyl)-3-undecylacridine-1,4-dione

Mol. Formula:
C30H32N2O5

M.W.:
500.60

Type:
---

AlogP:
7.92

Polar Surface Area:
110.40

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5271918

Name:
4-((4-Fluorobenzyl)sulfonyl)-N,N-dimethyl-2-nitroaniline

Mol. Formula:
C15H15FN2O4S

M.W.:
338.36

Type:
---

AlogP:
2.77

Polar Surface Area:
80.52

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5271566

Name:
2-Hydroxy-6,8-dimethyl-9-(4-nitrophenyl)-3-undecylacridine-1,4-dione

Mol. Formula:
C32H36N2O5

M.W.:
528.65

Type:
---

AlogP:
8.54

Polar Surface Area:
110.40

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5271181

Name:
1-Ethyl-4-(4-((3-Methoxybenzyl)sulfonyl)-2-nitrophenyl)piperazine

Mol. Formula:
C20H25N3O5S

M.W.:
419.50

Type:
---

AlogP:
2.72

Polar Surface Area:
92.99

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5270805

Name:
2-Hydroxy-6,8-dimethyl-9-(4-nitrophenyl)-3-undecyl-9,10-dihydroacridine-1,4Show More⌵

Mol. Formula:
C32H38N2O5

M.W.:
530.67

Type:
---

AlogP:
7.91

Polar Surface Area:
109.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5269577

Name:
2-Hydroxy-9-(4-chlorophenyl)-3-undecylacridine-1,4-dione

Mol. Formula:
C30H32ClNO3

M.W.:
490.04

Type:
---

AlogP:
8.67

Polar Surface Area:
67.26

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269469

Name:
1-(4-(4-((4-Fluorobenzyl)sulfonyl)-2-nitrophenyl)piperazin-1-yl)ethan-1-one

Mol. Formula:
C19H20FN3O5S

M.W.:
421.45

Type:
---

AlogP:
2.38

Polar Surface Area:
100.83

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5269428

Name:
Miltiorin D

Mol. Formula:
C19H22O4

M.W.:
314.38

Type:
---

AlogP:
4.09

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5269354

Name:
2-Hydroxy-9-(4-nitrophenyl)-3-undecyl-9,10-dihydroacridine-1,4-dione

Mol. Formula:
C30H34N2O5

M.W.:
502.61

Type:
---

AlogP:
7.29

Polar Surface Area:
109.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5268839

Name:
5-((4-Bromophenyl)amino)-2-hydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione

Mol. Formula:
C23H30BrNO3

M.W.:
448.40

Type:
---

AlogP:
6.63

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5268202

Name:
Trifolirhizin

Mol. Formula:
C22H22O10

M.W.:
446.41

Type:
---

AlogP:
0.20

Polar Surface Area:
136.30

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282537

Name:
1-(4-((4-Fluorobenzyl)sulfonyl)-2-nitrophenyl)-4-(3-nitrobenzyl)piperazine

Mol. Formula:
C24H23FN4O6S

M.W.:
514.54

Type:
---

AlogP:
3.94

Polar Surface Area:
126.90

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5282418

Name:
2-Hydroxy-9-(thiophen-3-yl)-3-undecyl-9,10-dihydroacridine-1,4-dione

Mol. Formula:
C28H33NO3S

M.W.:
463.64

Type:
---

AlogP:
7.44

Polar Surface Area:
66.40

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5281878

Name:
7-Bromo-2-hydroxy-9-(4-nitrophenyl)-3-undecyl-9,10-dihydroacridine-1,4-dionShow More⌵

Mol. Formula:
C30H33BrN2O5

M.W.:
581.51

Type:
---

AlogP:
8.05

Polar Surface Area:
109.54

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5281710

Name:
1-Ethyl-4-(4-((4-methylbenzyl)sulfonyl)-2-nitrophenyl)piperazine

Mol. Formula:
C20H25N3O4S

M.W.:
403.50

Type:
---

AlogP:
3.02

Polar Surface Area:
83.76

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281539

Name:
2-(4-(4-((4-Methylbenzyl)sulfonyl)-2-nitrophenyl)piperazin-1-yl)ethan-1-ol

Mol. Formula:
C20H25N3O5S

M.W.:
419.50

Type:
---

AlogP:
1.99

Polar Surface Area:
103.99

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5280955

Name:
2-Hydroxy-9-phenyl-3-undecyl-9,10-dihydroacridine-1,4-dione

Mol. Formula:
C30H35NO3

M.W.:
457.61

Type:
---

AlogP:
7.38

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5280659

Name:
1-(2-Methoxyethyl)-4-(4-((4-Methylbenzyl)sulfonyl)-2-nitrophenyl)piperazine

Mol. Formula:
C21H27N3O5S

M.W.:
433.53

Type:
---

AlogP:
2.65

Polar Surface Area:
92.99

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS