Compounds

ALA5271166

Name:
(4-(4-oxo-5-((1-phenyl-3-(m-tolyl)-1H-pyrazol-4-yl)methylene)-2-thioxothiazShow More⌵

Mol. Formula:
C29H22N4O4S2

M.W.:
554.65

Type:
---

AlogP:
5.07

Polar Surface Area:
104.53

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5270078

Name:
5-(4-isopropylphenethyl)benzene-1,3-diol

Mol. Formula:
C17H20O2

M.W.:
256.35

Type:
---

AlogP:
4.01

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5269424

Name:
5-(4-fluorophenethyl)benzene-1,3-diol

Mol. Formula:
C14H13FO2

M.W.:
232.25

Type:
---

AlogP:
3.02

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5269340

Name:
4-(2-hydroxy-3-methoxyphenethyl)benzene-1,2-diol

Mol. Formula:
C15H16O4

M.W.:
260.29

Type:
---

AlogP:
2.60

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267913

Name:
2-(5-chloro-2-((2-fluoro-4-iodobenzyl)carbamoyl)phenoxy)acetic acid

Mol. Formula:
C16H12ClFINO4

M.W.:
463.63

Type:
---

AlogP:
3.48

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5281499

Name:
4-(3-hydroxy-5-methoxyphenethyl)benzene-1,2-diol

Mol. Formula:
C15H16O4

M.W.:
260.29

Type:
---

AlogP:
2.60

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5280965

Name:
2-(5-chloro-2-((4-cyanobenzyl)carbamoyl)phenoxy)acetic acid

Mol. Formula:
C17H13ClN2O4

M.W.:
344.75

Type:
---

AlogP:
2.61

Polar Surface Area:
99.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5279118

Name:
2-(5-methyl-2-oxo-5-{2-[(3,4,5-trimethoxyphenyl)methoxy]phenyl}-1,3-oxazoliShow More⌵

Mol. Formula:
C22H25NO8

M.W.:
431.44

Type:
---

AlogP:
3.04

Polar Surface Area:
103.76

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5279085

Name:
2-(2-((4-amino-2-fluorobenzyl)carbamoyl)-5-chlorophenoxy)acetic acid

Mol. Formula:
C16H14ClFN2O4

M.W.:
352.75

Type:
---

AlogP:
2.45

Polar Surface Area:
101.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5277236

Name:
4-(5-chloro-2-hydroxyphenethyl)benzene-1,2-diol

Mol. Formula:
C14H13ClO3

M.W.:
264.71

Type:
---

AlogP:
3.24

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5276874

Name:
1-((5-chlorothiophen-2-yl)sulfonyl)-1,3-diazaspiro[4.5]decane-2,4-dione

Mol. Formula:
C12H13ClN2O4S2

M.W.:
348.83

Type:
---

AlogP:
2.34

Polar Surface Area:
83.55

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5276116

Name:
1,2-bis(3,5-dimethoxyphenyl)ethane

Mol. Formula:
C18H22O4

M.W.:
302.37

Type:
---

AlogP:
3.51

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5275831

Name:
(4E)-3-amino-4-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-5Show More⌵

Mol. Formula:
C20H15ClN6OS

M.W.:
422.90

Type:
---

AlogP:
2.93

Polar Surface Area:
102.53

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5273049

Name:
(4-(5-((3-(3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioShow More⌵

Mol. Formula:
C28H19FN4O4S2

M.W.:
558.62

Type:
---

AlogP:
4.90

Polar Surface Area:
104.53

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5286261

Name:
2-(5-fluoro-2-((3-nitrobenzyl)carbamothioyl)phenoxy)acetic acid

Mol. Formula:
C16H13FN2O5S

M.W.:
364.35

Type:
---

AlogP:
2.66

Polar Surface Area:
101.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5284180

Name:
(Z)-3-(2-hydroxy-5-methylbenzylidene)indolin-2-one

Mol. Formula:
C16H13NO2

M.W.:
251.28

Type:
---

AlogP:
3.19

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5290848

Name:
N-(2-fluoro-5-methylphenyl)-N-methyl-1-nitromethanesulfonamide

Mol. Formula:
C9H11FN2O4S

M.W.:
262.26

Type:
---

AlogP:
1.13

Polar Surface Area:
80.52

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5289568

Name:
2-(6-bromo-2-(4-methoxyphenyl)-2'-oxospiro[chromane-4,5'-oxazolidin]-3'-yl)Show More⌵

Mol. Formula:
C20H18BrNO6

M.W.:
448.27

Type:
---

AlogP:
3.71

Polar Surface Area:
85.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5289196

Name:
3-methoxy-5-(2-(naphthalen-1-yl)ethyl)phenol

Mol. Formula:
C19H18O2

M.W.:
278.35

Type:
---

AlogP:
4.34

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5288802

Name:
7-bromo-5-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide

Mol. Formula:
C7H4BrN3O4S

M.W.:
306.10

Type:
---

AlogP:
1.50

Polar Surface Area:
101.67

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS