Compounds

ALA5267620

Name:
10-(2-(4-methylpiperidin-1-yl)ethyl)-10H-phenothiazine

Mol. Formula:
C20H24N2S

M.W.:
324.49

Type:
---

AlogP:
5.02

Polar Surface Area:
6.48

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5267615

Name:
5-methyl-2-((3'-methyl-[1,1'-biphenyl])-4-sulfonamido)benzoic acid

Mol. Formula:
C21H19NO4S

M.W.:
381.45

Type:
---

AlogP:
4.47

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267591

Name:
4-fluoro-2-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)benzoic acid

Mol. Formula:
C20H16FNO5S

M.W.:
401.42

Type:
---

AlogP:
4.00

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5267443

Name:
10-(3-(4-benzylpiperazin-1-yl)propyl)-10H-phenothiazine

Mol. Formula:
C26H29N3S

M.W.:
415.61

Type:
---

AlogP:
5.50

Polar Surface Area:
9.72

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267240

Name:
10-(3-(pyrimidin-2-ylthio)propyl)-10H-phenothiazine

Mol. Formula:
C19H17N3S2

M.W.:
351.50

Type:
---

AlogP:
5.26

Polar Surface Area:
29.02

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5266609

Name:
4'-methyl-N-(4-methyl-2-(1H-tetrazol-5-yl)phenyl)-[1,1'-biphenyl]-4-sulfonaShow More⌵

Mol. Formula:
C21H19N5O2S

M.W.:
405.48

Type:
---

AlogP:
3.95

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5266459

Name:
2-([1,1'-biphenyl]-4-sulfonamido)benzoic acid

Mol. Formula:
C19H15NO4S

M.W.:
353.40

Type:
---

AlogP:
3.85

Polar Surface Area:
83.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5266438

Name:
10-(2-(4-methylpiperazin-1-yl)ethyl)-10H-phenothiazine

Mol. Formula:
C19H23N3S

M.W.:
325.48

Type:
---

AlogP:
3.54

Polar Surface Area:
9.72

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5266049

Name:
2-((4'-methoxy-[1,1'-biphenyl])-4-sulfonamido)-5-(trifluoromethyl)benzoic aShow More⌵

Mol. Formula:
C21H16F3NO5S

M.W.:
451.42

Type:
---

AlogP:
4.88

Polar Surface Area:
92.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5265861

Name:
N-(2-(1H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl)-4'-methyl-[1,1'-biphenylShow More⌵

Mol. Formula:
C21H16F3N5O2S

M.W.:
459.45

Type:
---

AlogP:
4.66

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5282520

Name:
tert-butyl 4-(2-(10H-phenothiazin-10-yl)ethyl)piperazine-1-carboxylate

Mol. Formula:
C23H29N3O2S

M.W.:
411.57

Type:
---

AlogP:
4.84

Polar Surface Area:
36.02

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5282308

Name:
10-(2-(4-benzylpiperazin-1-yl)ethyl)-10H-phenothiazine

Mol. Formula:
C25H27N3S

M.W.:
401.58

Type:
---

AlogP:
5.11

Polar Surface Area:
9.72

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5282190

Name:
Wogonoside

Mol. Formula:
C22H20O11

M.W.:
460.39

Type:
---

AlogP:
0.45

Polar Surface Area:
176.12

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5282096

Name:
4-methyl-N-(1-(2-nitro-4-(piperidin-4-yloxy)benzyl)-1,2,3,4-tetrahydroquinoShow More⌵

Mol. Formula:
C29H31N5O4S

M.W.:
545.67

Type:
---

AlogP:
5.48

Polar Surface Area:
101.67

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5281939

Name:
4-(3-(4-(4-carbamimidoylbenzoyl)piperazine-1-carbonyl)-5-nitrobenzyl)piperaShow More⌵

Mol. Formula:
C25H31N9O4

M.W.:
521.58

Type:
---

AlogP:
0.49

Polar Surface Area:
189.98

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5281730

Name:
10-(3-thiomorpholinopropyl)-10H-phenothiazine

Mol. Formula:
C19H22N2S2

M.W.:
342.53

Type:
---

AlogP:
4.73

Polar Surface Area:
6.48

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5281627

Name:
10-(2-(4-(methylsulfonyl)piperazin-1-yl)ethyl)-10H-phenothiazine

Mol. Formula:
C19H23N3O2S2

M.W.:
389.55

Type:
---

AlogP:
2.87

Polar Surface Area:
43.86

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5281624

Name:
4-((1-(5-chloropyrimidin-2-yl)-1H-tetrazol-5-yl)thio)-6,7-bis(2-methoxyethoShow More⌵

Mol. Formula:
C19H19ClN8O4S

M.W.:
490.93

Type:
---

AlogP:
2.25

Polar Surface Area:
132.08

HBA:
13

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5280719

Name:
4-((1-(5-bromopyrimidin-2-yl)-1H-tetrazol-5-yl)thio)-6,7-bis(2-methoxyethoxShow More⌵

Mol. Formula:
C19H19BrN8O4S

M.W.:
535.38

Type:
---

AlogP:
2.36

Polar Surface Area:
132.08

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5280652

Name:
(E)-4-(2-bromo-4,5-dimethoxystyryl)-N-hydroxybenzamide

Mol. Formula:
C17H16BrNO4

M.W.:
378.22

Type:
---

AlogP:
3.76

Polar Surface Area:
67.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS