Compounds

2 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
106.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA28829

Name:
3-Isopropoxy-4-methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-Show More⌵

Mol. Formula:
C20H20N6O3

M.W.:
392.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
106.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA28989

Name:
3-Isopropyl-5-methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-yShow More⌵

Mol. Formula:
C20H20N6O2

M.W.:
376.42

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA29434

Name:
3-Isopropoxy-1-(4-methoxy-phenyl)-1H-indole-2-carboxylic acid (1H-tetrazol-Show More⌵

Mol. Formula:
C20H20N6O3

M.W.:
392.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
106.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA29700

Name:
3-Isopropoxy-5-methoxy-1-phenyl-2-(1H-tetrazol-5-yl)-1H-indole

Mol. Formula:
C19H19N5O2

M.W.:
349.39

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
77.85

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

Nedocromil

Name:
8-Ethyl-4,5-dioxo-9-propyl-5,8-dihydro-4H-1-oxa-8-aza-anthracene-2,7-dicarbShow More⌵

Mol. Formula:
C19H17NO7

M.W.:
371.35

98 activity values

42 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
126.81

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA29967

Name:
3-Isopropoxy-6-methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-Show More⌵

Mol. Formula:
C20H20N6O3

M.W.:
392.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
106.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA285806

Name:
5-Hydroxy-3-isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-Show More⌵

Mol. Formula:
C19H18N6O3

M.W.:
378.39

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
117.95

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA29780

Name:
5-Benzyloxy-3-isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-Show More⌵

Mol. Formula:
C26H24N6O3

M.W.:
468.52

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
106.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA287212

Name:
3-Isopropoxy-5-methyl-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-yShow More⌵

Mol. Formula:
C20H20N6O2

M.W.:
376.42

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA29519

Name:
5-Bromo-3-isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-ylShow More⌵

Mol. Formula:
C19H17BrN6O2

M.W.:
441.29

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA281257

Name:
5-Chloro-3-isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-yShow More⌵

Mol. Formula:
C19H17ClN6O2

M.W.:
396.84

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA28466

Name:
3-Isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-yl)-amide

Mol. Formula:
C19H18N6O2

M.W.:
362.39

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA29720

Name:
5,6-Dichloro-3-isopropoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazolShow More⌵

Mol. Formula:
C19H16Cl2N6O2

M.W.:
431.28

Type:
Small molecule

AlogP:
4.49

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA282638

Name:
3-Methanesulfonyl-5-methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazShow More⌵

Mol. Formula:
C18H16N6O4S

M.W.:
412.43

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
131.86

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA29969

Name:
5-Methoxy-3-(4-nitro-phenoxy)-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrShow More⌵

Mol. Formula:
C23H17N7O5

M.W.:
471.43

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
150.09

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA29409

Name:
5-Methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazol-5-yl)-amide

Mol. Formula:
C17H14N6O2

M.W.:
334.34

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA286486

Name:
5-Methoxy-3-methylsulfanyl-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrazoShow More⌵

Mol. Formula:
C18H16N6O2S

M.W.:
380.43

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
97.72

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA27676

Name:
3-Isopropylsulfanyl-5-methoxy-1-phenyl-1H-indole-2-carboxylic acid (1H-tetrShow More⌵

Mol. Formula:
C20H20N6O2S

M.W.:
408.49