Compounds

ALA5267705

Name:
2-(2,6-dimethyl-4-oxo-1,4-dihydroquinolin-3-yl)acetic acid

Mol. Formula:
C13H13NO3

M.W.:
231.25

Type:
---

AlogP:
1.77

Polar Surface Area:
70.16

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5267618

Name:
1-((2R,3R,4S,5S)-5-((R)-1-(((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrShow More⌵

Mol. Formula:
C22H38N4O9

M.W.:
502.57

Type:
---

AlogP:
-2.49

Polar Surface Area:
201.52

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5267560

Name:
1-cyclopropyl-6-fluoro-7-{4-[(2E)-2-(furan-3-yl)-2-(hydroxyimino)ethyl]pipeShow More⌵

Mol. Formula:
C23H23FN4O5

M.W.:
454.46

Type:
---

AlogP:
2.77

Polar Surface Area:
111.51

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5267558

Name:
(2E)-1-(5-bromo-2-hydroxyphenyl)-3-{9-methoxy-[1,2,3,4]tetrazolo[1,5-a]quinShow More⌵

Mol. Formula:
C19H13BrN4O3

M.W.:
425.24

Type:
---

AlogP:
3.65

Polar Surface Area:
89.61

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267464

Name:
2-(3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamido)-4-(4-hydroxypiperidin-1-Show More⌵

Mol. Formula:
C19H18Cl2N4O4S

M.W.:
469.35

Type:
---

AlogP:
4.15

Polar Surface Area:
118.55

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5267434

Name:
12-(((1-((8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-4-yl)meShow More⌵

Mol. Formula:
C36H58BrN5O3

M.W.:
688.80

Type:
---

AlogP:
7.40

Polar Surface Area:
82.18

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5267365

Name:
1-cyclopropyl-6-fluoro-7-(4-(3-(6-methoxybenzo[d]thiazol-2-yl)-4-oxothiazolShow More⌵

Mol. Formula:
C28H26FN5O5S2

M.W.:
595.68

Type:
---

AlogP:
3.98

Polar Surface Area:
108.21

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5267286

Name:
3,4,5-trimethoxy-N-[(E)-[4-(2-pyridyl)phenyl]methyleneamino]benzamide

Mol. Formula:
C22H21N3O4

M.W.:
391.43

Type:
---

AlogP:
3.54

Polar Surface Area:
82.04

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5267074

Name:
[(5S)-5-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-{[1,1'-biphenShow More⌵

Mol. Formula:
C38H55N8O3+

M.W.:
671.91

Type:
---

AlogP:
2.69

Polar Surface Area:
175.22

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5266938

Name:
5-(4-chlorophenyl)-7-(2-oxo-2H-chromen-3-yl)-2-phenyl-3H-pyrano[2,3-d]pyrimShow More⌵

Mol. Formula:
C28H17ClN2O4

M.W.:
480.91

Type:
---

AlogP:
5.76

Polar Surface Area:
85.19

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5266921

Name:
(2S,5R)-2-((2-(2-(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydShow More⌵

Mol. Formula:
C26H31FN8O9S

M.W.:
650.65

Type:
---

AlogP:
-1.23

Polar Surface Area:
211.72

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5266914

Name:
3-(5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2H-chromen-2-Show More⌵

Mol. Formula:
C19H16N2O4

M.W.:
336.35

Type:
---

AlogP:
2.95

Polar Surface Area:
84.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5266780

Name:
[(6S)-6-amino-6-{[(1S)-2-{[1,1'-biphenyl]-4-yl}-1-{[(1S)-4-carbamimidamido-Show More⌵

Mol. Formula:
C39H57N8O3+

M.W.:
685.94

Type:
---

AlogP:
3.08

Polar Surface Area:
175.22

HBA:
5

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5266719

Name:
1-cyclopropyl-6-fluoro-4-oxo-7-(4-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydShow More⌵

Mol. Formula:
C23H28FN3O8

M.W.:
493.49

Type:
---

AlogP:
-0.90

Polar Surface Area:
155.93

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5266667

Name:
3-(5-amino-1,3,4-oxadiazol-2-yl)-6-bromo-1-ethyl-7-methyl-1,8-naphthyridin-Show More⌵

Mol. Formula:
C13H12BrN5O2

M.W.:
350.18

Type:
---

AlogP:
2.12

Polar Surface Area:
99.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5266524

Name:
6-imino-5-(4-methoxyphenyl)-7-(4-methylpyridin-2-yl)-6,7-dihydro-1H-pyrano[Show More⌵

Mol. Formula:
C22H18N6O4

M.W.:
430.42

Type:
---

AlogP:
1.73

Polar Surface Area:
138.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266494

Name:
6-cyclopropyl-9-oxo-4-(piperazin-1-yl)-6,9-dihydro-1H-imidazo[4,5-f]quinoliShow More⌵

Mol. Formula:
C18H19N5O3

M.W.:
353.38

Type:
---

AlogP:
1.32

Polar Surface Area:
103.25

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5266429

Name:
2-(6-bromo-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbonyl)Show More⌵

Mol. Formula:
C13H14BrN5O2S

M.W.:
384.26

Type:
---

AlogP:
0.97

Polar Surface Area:
102.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5266427

Name:
4-(3-(aminomethyl)pyrrolidin-1-yl)-6-cyclopropyl-9-oxo-6,9-dihydro-1H-imidaShow More⌵

Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
---

AlogP:
1.70

Polar Surface Area:
117.24

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5266420

Name:
Ribocil

Mol. Formula:
C19H22N6OS

M.W.:
382.49

Type:
---

AlogP:
3.12

Polar Surface Area:
87.06

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS