Compounds

ALA5267377

Name:
4-(2,6-dichlorophenyl)-3,4-dihydro-1H-pyrido[3,2-e]thiazolo[3,2-a]pyrimidinShow More⌵

Mol. Formula:
C15H9Cl2N3O2S

M.W.:
366.23

Type:
---

AlogP:
3.54

Polar Surface Area:
63.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5265792

Name:
2-(5-(pyridin-3-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)acetamide

Mol. Formula:
C16H15N5OS

M.W.:
325.40

Type:
---

AlogP:
2.22

Polar Surface Area:
86.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5265759

Name:
N7-3,5-(di-tert-butyl)benzyl-5'-deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-Show More⌵

Mol. Formula:
C29H37N6O7+

M.W.:
581.65

Type:
---

AlogP:
0.27

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5282023

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-3-methylbenzyl-Show More⌵

Mol. Formula:
C22H23N6O7+

M.W.:
483.46

Type:
---

AlogP:
-2.02

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5280530

Name:
2-(5-(pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-ylthio)acetamide

Mol. Formula:
C16H15N5OS

M.W.:
325.40

Type:
---

AlogP:
2.22

Polar Surface Area:
86.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5278209

Name:
N7-3-Chlorobenzyl-5'-deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)aminogShow More⌵

Mol. Formula:
C21H20ClN6O7+

M.W.:
503.88

Type:
---

AlogP:
-1.67

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5277591

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-3-methoxybenzylShow More⌵

Mol. Formula:
C22H23N6O8+

M.W.:
499.46

Type:
---

AlogP:
-2.32

Polar Surface Area:
205.90

HBA:
12

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5276591

Name:
5'-Deoxy-N7-methyl-5'-((1H-tetrazol-5-yl)methylcarbamoyl)guanosine

Mol. Formula:
C14H19N10O5+

M.W.:
407.37

Type:
---

AlogP:
-4.38

Polar Surface Area:
213.83

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5274466

Name:
3-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)(4-methylpiperidin-1-yl)methyl]-Show More⌵

Mol. Formula:
C24H32N6O

M.W.:
420.56

Type:
---

AlogP:
4.07

Polar Surface Area:
79.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5289272

Name:
5-((5-(4-chlorophenylthio)furan-2-yl)methylene)-2-iminothiazolidin-4-one

Mol. Formula:
C14H9ClN2O2S2

M.W.:
336.83

Type:
---

AlogP:
4.22

Polar Surface Area:
66.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5289039

Name:
2-(2-(5-(3,4-dichlorophenyl)thiazol-2-yl)hydrazineylidene)-2-(2-nitrophenylShow More⌵

Mol. Formula:
C17H10Cl2N4O4S

M.W.:
437.26

Type:
---

AlogP:
4.93

Polar Surface Area:
117.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5288894

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-4-flurobenzyl-gShow More⌵

Mol. Formula:
C21H20FN6O7+

M.W.:
487.42

Type:
---

AlogP:
-2.19

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5284018

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-3-(trifluorometShow More⌵

Mol. Formula:
C22H20F3N6O7+

M.W.:
537.43

Type:
---

AlogP:
-1.31

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5270160

Name:
N7-Benzyl-5'-deoxy-5'-((1H-tetrazol-5-yl)methylcarbamoyl)guanosine

Mol. Formula:
C20H23N10O5+

M.W.:
483.47

Type:
---

AlogP:
-2.87

Polar Surface Area:
213.83

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5269922

Name:
2-(4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-ylthio)acetic aciShow More⌵

Mol. Formula:
C17H16N4O3S

M.W.:
356.41

Type:
---

AlogP:
2.90

Polar Surface Area:
90.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5269916

Name:
N7-Benzyl-5'-deoxy-5'-(1,2-dioxo-3-hydroxy-cyclobut-3-en-4-yl)amino-guanosiShow More⌵

Mol. Formula:
C21H21N6O7+

M.W.:
469.43

Type:
---

AlogP:
-2.32

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5269259

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-methyl-guanosinShow More⌵

Mol. Formula:
C15H17N6O7+

M.W.:
393.34

Type:
---

AlogP:
-3.84

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268298

Name:
N7-Benzyl-5'-(4-carboxyphenyl)sulfamoyl-5'-deoxyguanosine

Mol. Formula:
C24H25N6O8S+

M.W.:
557.57

Type:
---

AlogP:
-1.06

Polar Surface Area:
213.74

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5271529

Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl)amino-N7-4-isopropylbenzShow More⌵

Mol. Formula:
C24H27N6O7+

M.W.:
511.52

Type:
---

AlogP:
-1.20

Polar Surface Area:
196.67

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5283082

Name:
N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]-N'-(2-methyl-Show More⌵

Mol. Formula:
C23H25N3O3S

M.W.:
423.54

Type:
---

AlogP:
3.79

Polar Surface Area:
66.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS