Compounds

Type:
Unknown

AlogP:
5.56

Polar Surface Area:
120.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4644395

Name:
1-{5-[(5-{[Isobutyl(2-methoxyethyl)amino]methyl}-4-[4-methoxy-3-(trifluoromShow More⌵

Mol. Formula:
C30H39Cl2F3N6O5S

M.W.:
723.65

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
130.01

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4643277

Name:
1-{5-[(4-[3-Chloro-5-(trifluoromethyl)phenyl]-5-{[(2R)-2-methylpyrrolidin-1Show More⌵

Mol. Formula:
C27H30Cl3F3N6O3S

M.W.:
682.00

Type:
Unknown

AlogP:
5.81

Polar Surface Area:
111.55

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4642266

Name:
1-[5-({5-[(3,3-Dimethylpiperidin-1-yl)methyl]-4-[4-methoxy-3-(trifluoromethShow More⌵

Mol. Formula:
C30H37Cl2F3N6O4S

M.W.:
705.63

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
120.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4642091

Name:
1-{5-[(4-[4-Methoxy-3-(trifluoromethyl)phenyl]-5-{[(2R)-2-propylpyrrolidin-Show More⌵

Mol. Formula:
C30H37Cl2F3N6O4S

M.W.:
705.63

Type:
Unknown

AlogP:
5.95

Polar Surface Area:
120.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4640630

Name:
1-{5-[(5-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]methyl}-4-[4-methoxy-3-(trShow More⌵

Mol. Formula:
C29H35Cl2F3N6O5S

M.W.:
707.60

Type:
Unknown

AlogP:
4.79

Polar Surface Area:
130.01

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4640159

Name:
1-{5-[(4-[4-Methoxy-3-(trifluoromethyl)phenyl]-5-{[(2S)-2-methylpyrrolidin-Show More⌵

Mol. Formula:
C28H33Cl2F3N6O4S

M.W.:
677.58

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
120.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4637773

Name:
1-(5-{[4-(4-Chloro-2-thienyl)-5-{[(2R)-2-methylpyrrolidin-1-yl]methyl}-1,3-Show More⌵

Mol. Formula:
C24H29Cl3N6O3S2

M.W.:
620.03

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
111.55

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3961997

Name:
(R)-(E)-3-(2,6-dichloro-4-{4-[3-(1-hexyloxyethyl)-2-methyloxyphenyl]thiazolShow More⌵

Mol. Formula:
C29H32Cl2N2O5S

M.W.:
591.56

Type:
Small molecule

AlogP:
8.52

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3959282

Name:
(S)-(E)-3-(2,6-dichloro-4-{4-[2-methyloxy-3-(1-methyloxyheptyl)-phenyl]thiaShow More⌵

Mol. Formula:
C29H32Cl2N2O5S

M.W.:
591.56

Type:
Small molecule

AlogP:
8.52

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3924507

Name:
(S)-(E)-3-(2,6-dichloro-4-(4-(3-(2,2-dimethyl-1-propyloxypropyl)-2-methyloxShow More⌵

Mol. Formula:
C29H32Cl2N2O5S

M.W.:
591.56

Type:
Small molecule

AlogP:
8.38

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3910159

Name:
(R)-(E)-3-(2,6-dichloro-4-{4-[2-methyloxy-3-(1-methyloxyheptyl)phenyl]thiazShow More⌵

Mol. Formula:
C29H32Cl2N2O5S

M.W.:
591.56

Type:
Small molecule

AlogP:
8.52

Polar Surface Area:
97.75

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3885359

Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S)-15-((1H-indol-3-yl)methyl)-1-((S)-1-Show More⌵

Mol. Formula:
C156H251N49O43

M.W.:
3501.02

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3885153

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,39S,45S,48S)-12-((1H-indol-3-yl)methyl)-48-(Show More⌵

Mol. Formula:
C153H247N49O43

M.W.:
3460.96

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3884894

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,42S,54S,60S,63S)-12-((1H-indol-3-yl)methyl)-Show More⌵

Mol. Formula:
C164H264N54O49

M.W.:
3776.24

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3884613

Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,36S,39S)-12-((1H-indol-3-yl)methyl)-39-(Show More⌵

Mol. Formula:
C147H238N46O40

M.W.:
3289.80

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3144853

Name:
4-[N'-(1-tert-Butyl-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene)-hydrazinoShow More⌵

Mol. Formula:
C18H20N4O5S

M.W.:
404.45

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
137.11

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3144852

Name:
3-Hydroxy-4-[N'-(3-methyl-5-oxo-1-p-tolyl-1,5-dihydro-pyrazol-4-ylidene)-hyShow More⌵

Mol. Formula:
C21H18N4O5S

M.W.:
438.47

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
137.11

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3144844

Name:
3-Hydroxy-4-{N'-[3-methyl-5-oxo-1-(3-trifluoromethyl-phenyl)-1,5-dihydro-pyShow More⌵

Mol. Formula:
C21H15F3N4O5S

M.W.:
492.44

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
137.11

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3144839

Name:
4-{4-[(2-Hydroxy-4-sulfo-naphthalen-1-yl)-hydrazono]-3-methyl-5-oxo-4,5-dihShow More⌵

Mol. Formula:
C21H16N4O7S

M.W.:
468.45