Compounds

ALA5272614

Name:
(3R,4S)-3-(((13R,14S,17R,18S,19R)-19-(carbamoyloxy)-11,18-dichloro-13,14,17Show More⌵

Mol. Formula:
C29H20N2O6

M.W.:
492.49

Type:
---

AlogP:
5.31

Polar Surface Area:
125.72

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5272473

Name:
4-((3-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-2-thioxo-2,3-dihydrothiazoShow More⌵

Mol. Formula:
C24H22FN3O3S2

M.W.:
483.59

Type:
---

AlogP:
4.88

Polar Surface Area:
50.85

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5272470

Name:
3-(3-(furan-2-yl)acryloyl)-4-hydroxy-1-methylquinolin-2(1H)-one

Mol. Formula:
C17H13NO4

M.W.:
295.29

Type:
---

AlogP:
2.73

Polar Surface Area:
72.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272448

Name:
5-amino-2-(2,4-dinitrophenyl)-1H-pyrazol-3-one

Mol. Formula:
C9H7N5O5

M.W.:
265.19

Type:
---

AlogP:
0.56

Polar Surface Area:
150.09

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5272438

Name:
7-(4-((4-benzyl-3-(3,5-dimethoxyphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazShow More⌵

Mol. Formula:
C35H34F2N6O5S

M.W.:
688.76

Type:
---

AlogP:
5.36

Polar Surface Area:
106.99

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5272428

Name:
7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-6-fluoro-1-[(1R,2SShow More⌵

Mol. Formula:
C18H19F2N5O4

M.W.:
407.38

Type:
---

AlogP:
0.91

Polar Surface Area:
123.04

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272314

Name:
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]-3,4,Show More⌵

Mol. Formula:
C18H21N3O6

M.W.:
375.38

Type:
---

AlogP:
1.38

Polar Surface Area:
122.50

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5272185

Name:
(S)-9-((R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl)-3-methyl-7-oxo-2,3-dihydrShow More⌵

Mol. Formula:
C20H25N3O4

M.W.:
371.44

Type:
---

AlogP:
2.22

Polar Surface Area:
97.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5272008

Name:

Mol. Formula:
C25H23N3O5S

M.W.:
477.54

Type:
---

AlogP:
3.79

Polar Surface Area:
118.65

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5271971

Name:
(S)-7-(3-((4-(5-(acetamidomethyl)-2-oxooxazolidin-3-yl)-2-fluorophenyl)aminShow More⌵

Mol. Formula:
C27H26F2N6O6

M.W.:
568.54

Type:
---

AlogP:
2.47

Polar Surface Area:
146.10

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271959

Name:

Mol. Formula:
C135H210N36O39S6

M.W.:
3153.78

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271900

Name:
1-cyclopropyl-6-fluoro-7-((4aR,7aR)-1-((4-fluorophenyl)sulfonyl)hexahydro-1Show More⌵

Mol. Formula:
C27H27F2N3O6S

M.W.:
559.59

Type:
---

AlogP:
3.61

Polar Surface Area:
109.15

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5271872

Name:
4-((4-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-5-thioxo-4,5-dihydro-1,3,4Show More⌵

Mol. Formula:
C24H24FN5O3S

M.W.:
481.55

Type:
---

AlogP:
3.56

Polar Surface Area:
68.67

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5271702

Name:
1-(5-amino-4-fluoro-2-(hydroxymethyl)phenyl)-8-chloro-6-fluoro-7-(3-methyl-Show More⌵

Mol. Formula:
C22H21ClF2N4O4

M.W.:
478.88

Type:
---

AlogP:
2.49

Polar Surface Area:
120.82

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5271674

Name:
7-((R)-3-((4-((S)-5-(acetamidomethyl)-2-oxooxazolidin-3-yl)-2-fluorophenyl)Show More⌵

Mol. Formula:
C29H29F2N5O6

M.W.:
581.58

Type:
---

AlogP:
3.46

Polar Surface Area:
133.21

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271606

Name:
(S)-4-(4-(4-(3-cyano-2-(4-(2-methyl-3-(4-(trifluoromethyl)phenyl)acrylamidoShow More⌵

Mol. Formula:
C45H37F3N6O11

M.W.:
894.82

Type:
---

AlogP:
7.03

Polar Surface Area:
265.51

HBA:
11

HBD:
8

#RO5 Violations:
4

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5271564

Name:
1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydro-1,8-nShow More⌵

Mol. Formula:
C19H14F3N3O3

M.W.:
389.33

Type:
---

AlogP:
3.10

Polar Surface Area:
75.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5271535

Name:
1-cyclopropyl-7-(4-(3-(6-ethoxybenzo[d]thiazol-2-yl)-4-oxothiazolidin-2-yl)Show More⌵

Mol. Formula:
C29H28FN5O5S2

M.W.:
609.71

Type:
---

AlogP:
4.37

Polar Surface Area:
108.21

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5271530

Name:
[3-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)propyl]phosphonic acid

Mol. Formula:
C8H15BNO7P

M.W.:
278.99

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5271487

Name:
7-{4-[(2E)-2-[(benzyloxy)imino]-2-(furan-3-yl)ethyl]piperazin-1-yl}-1-ethylShow More⌵

Mol. Formula:
C28H28FN5O5

M.W.:
533.56

Type:
---

AlogP:
3.59

Polar Surface Area:
113.40

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS