Compounds

ALA5282086

Name:
2-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxypheShow More⌵

Mol. Formula:
C35H43N7O7

M.W.:
673.77

Type:
---

AlogP:
0.58

Polar Surface Area:
219.84

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5281461

Name:
(2R)-3-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroShow More⌵

Mol. Formula:
C36H45N7O7

M.W.:
687.80

Type:
---

AlogP:
0.83

Polar Surface Area:
219.84

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5281148

Name:
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydrShow More⌵

Mol. Formula:
C36H47N7O7

M.W.:
689.81

Type:
---

AlogP:
1.61

Polar Surface Area:
219.84

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5278907

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-methyl-butanoyl]amShow More⌵

Mol. Formula:
C42H56N8O8

M.W.:
800.96

Type:
---

AlogP:
1.50

Polar Surface Area:
248.94

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5274600

Name:
(2S)-2-[[2-[(7S)-7-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amShow More⌵

Mol. Formula:
C37H49N9O8

M.W.:
747.85

Type:
---

AlogP:
-0.14

Polar Surface Area:
250.97

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5274302

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoShow More⌵

Mol. Formula:
C41H56N8O8

M.W.:
788.95

Type:
---

AlogP:
1.75

Polar Surface Area:
248.94

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5272894

Name:
2-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxypheShow More⌵

Mol. Formula:
C36H45N7O7

M.W.:
687.80

Type:
---

AlogP:
0.97

Polar Surface Area:
219.84

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5286628

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[2-[(2S)-2-amino-3-methyl-butanoyl]-6-Show More⌵

Mol. Formula:
C41H54N8O8

M.W.:
786.93

Type:
---

AlogP:
1.41

Polar Surface Area:
240.15

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5289525

Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[2-[(2S)-2-amino-3-methyl-butanoyl]-7-Show More⌵

Mol. Formula:
C41H54N8O8

M.W.:
786.93

Type:
---

AlogP:
1.41

Polar Surface Area:
240.15

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5267589

Name:
(2S)-2-[[(2S)-2-[(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-(aminomethyl)-3-methyShow More⌵

Mol. Formula:
C47H61N7O8

M.W.:
852.05

Type:
---

AlogP:
3.71

Polar Surface Area:
236.05

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3416732

Name:
N-(3-(1H-tetrazol-5-yl)phenyl)-3,4-dichlorobenzenesulfonamide

Mol. Formula:
C13H9Cl2N5O2S

M.W.:
370.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
100.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3125967

Name:
Rac-Ethyl 2-Amino-7-hydroxy-4-(2-nitrophenyl)-4H-chromene-3-carboxylate

Mol. Formula:
C18H16N2O6

M.W.:
356.33

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
124.92

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3125966

Name:
Rac-Ethyl 2-Amino-7-hydroxy-4-quinolin-2-yl-4H-chromene-3-carboxylate

Mol. Formula:
C21H18N2O4

M.W.:
362.39

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
94.67

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3125965

Name:
Rac-Ethyl 2-Amino-7-hydroxy-4-pyridin-2-yl-4H-chromene-3-carboxylate

Mol. Formula:
C17H16N2O4

M.W.:
312.33

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
94.67

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3125964

Name:
Rac-Ethyl 2-Amino-4-(2-cyanophenyl)-7-hydroxy-4H-chromene-3-carboxylate

Mol. Formula:
C19H16N2O4

M.W.:
336.35

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
105.57

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3125963

Name:
2-Amino-4-[4-(dimethylamino)phenyl]-7-hydroxy-4H-chromene-3-carbonitrile

Mol. Formula:
C18H17N3O2

M.W.:
307.35

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
82.51

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3125962

Name:
2-amino-4-(3,5-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile

Mol. Formula:
C18H16N2O4

M.W.:
324.34

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
97.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3125961

Name:
2-amino-7-hydroxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile

Mol. Formula:
C17H14N2O3

M.W.:
294.31

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
88.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3125960

Name:
Ethyl 2-amino-7-hydroxy-4-(quinolin-3-yl)-4H-chromene-3-carboxylate

Mol. Formula:
C21H18N2O4

M.W.:
362.39

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
94.67

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3125959

Name:
Ethyl 2-amino-7-methoxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate

Mol. Formula:
C18H18N2O4

M.W.:
326.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
83.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS