Compounds

ALA4295110

Name:
4-((2-oxo-1,2-dihydroquinoline-4-carboxamido)methyl)benzoic acid

Mol. Formula:
C18H14N2O4

M.W.:
322.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
99.26

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4294670

Name:
Ethyl 4-((2-oxo-1,2-dihydroquinoline-4-carboxamido)methyl)benzoate

Mol. Formula:
C20H18N2O4

M.W.:
350.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
88.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4294621

Name:
(S)-N1-((S)-5-amino-1-((S)-1-amino-3-hydroxy-1-oxopropan-2-ylamino)-1,5-dioShow More⌵

Mol. Formula:
C41H67N15O16

M.W.:
1026.08

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4294261

Name:
tert-butyl 3-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoate

Mol. Formula:
C17H20N2O4

M.W.:
316.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
88.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4294223

Name:
(S)-N1-((2S,3R)-1-((S)-1-amino-1-oxopropan-2-ylamino)-3-hydroxy-1-oxobutan-Show More⌵

Mol. Formula:
C43H70N12O16S

M.W.:
1043.17

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4293114

Name:
N-(2-aminobenzyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

Mol. Formula:
C17H15N3O2

M.W.:
293.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
87.98

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4291260

Name:
N-(3,4-dimethoxybenzyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

Mol. Formula:
C19H18N2O4

M.W.:
338.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
80.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4291217

Name:
N-(4-((S)-6-((2S,3R)-1-((S)-1-amino-1-oxopropan-2-ylamino)-3-hydroxy-1-oxobShow More⌵

Mol. Formula:
C53H76N12O13S

M.W.:
1121.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4290865

Name:
ethyl 3-(4-(2-oxo-1,2-dihydroquinoline-4-carboxamido)benzamido)propanoate

Mol. Formula:
C22H22N4O4

M.W.:
406.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
120.16

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4289791

Name:
(2-oxo-1,2-dihydroquinoline-4-carbonyl)glycine

Mol. Formula:
C12H10N2O4

M.W.:
246.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.34

Polar Surface Area:
99.26

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4289751

Name:
Cys-Val-Thr-Pro-Val-Ala-Thr-Ala-NH2

Mol. Formula:
C32H57N9O10S

M.W.:
759.93

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-4.26

Polar Surface Area:
304.48

HBA:
12

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4289370

Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

Mol. Formula:
C14H12N4O2S

M.W.:
300.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.19

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4287858

Name:
(2S)-8-(5-((S)-5,7-dihydroxy-4-oxochroman-2-yl)-2-hydroxyphenyl)-5,7-dihydrShow More⌵

Mol. Formula:
C30H22O10

M.W.:
542.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
173.98

HBA:
10

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4287814

Name:
N-(4-methoxybenzyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

Mol. Formula:
C18H16N2O3

M.W.:
308.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4287449

Name:
ethyl 4-(2-oxo-1,2-dihydroquinoline-4-carboxamido)butanoate

Mol. Formula:
C16H18N2O4

M.W.:
302.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
88.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4287384

Name:
Arg-Val-Pro-Ser-Ala-Gln-Ser-NH2

Mol. Formula:
C30H54N12O10

M.W.:
742.84

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-6.60

Polar Surface Area:
380.37

HBA:
12

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4286772

Name:
N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2-oxo-1,2-dihydroquinoline-Show More⌵

Mol. Formula:
C19H16N2O4

M.W.:
336.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
80.42

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4286371

Name:
3-(2-oxo-1,2-dihydroquinoline-4-carboxamido)propanoic acid

Mol. Formula:
C13H12N2O4

M.W.:
260.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
99.26

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4286333

Name:
(S)-N1-((2S,3R)-1-((S)-1-amino-1-oxopropan-2-ylamino)-3-hydroxy-1-oxobutan-Show More⌵

Mol. Formula:
C45H74N12O17S

M.W.:
1087.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4284455

Name:
Ethyl 4-((2-oxo-1,2-dihydroquinoline-4-carboxamido)methyl)cyclohexane-1-carShow More⌵

Mol. Formula:
C20H24N2O4

M.W.:
356.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
88.26

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS