Compounds

ALA5272714

Name:
N-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)phenyl)-4-nitrobenzenesShow More⌵

Mol. Formula:
C21H17F3N4O6S

M.W.:
510.45

Type:
---

AlogP:
5.07

Polar Surface Area:
139.67

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272701

Name:
N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide

Mol. Formula:
C14H21NO3

M.W.:
251.33

Type:
---

AlogP:
1.70

Polar Surface Area:
38.77

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5272696

Name:
(1-(2-((Allyloxy)amino)-2-oxoethyl)-1H-indole-3-carbonyl)-L-alanyl-L-valine

Mol. Formula:
C22H28N4O6

M.W.:
444.49

Type:
---

AlogP:
1.22

Polar Surface Area:
138.76

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5272682

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

Mol. Formula:
C46H68N12O17

M.W.:
1061.12

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272655

Name:
(2S)-2-(Dibenzylamino)-5-(3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triShow More⌵

Mol. Formula:
C27H28N4O2S

M.W.:
472.61

Type:
---

AlogP:
5.54

Polar Surface Area:
74.15

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5272654

Name:
6-(2,6-dibromo-3-(3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadeShow More⌵

Mol. Formula:
C55H89Br2N5O19

M.W.:
1284.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272639

Name:
(E)-2-((4-chlorophenyl)amino)-N'-(4-hydroxy-3-methoxybenzylidene)thiazole-4Show More⌵

Mol. Formula:
C18H15ClN4O3S

M.W.:
402.86

Type:
---

AlogP:
4.02

Polar Surface Area:
95.84

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272637

Name:

Mol. Formula:
C130H209N49O40S6

M.W.:
3290.81

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272626

Name:
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanShow More⌵

Mol. Formula:
C32H39N7O6

M.W.:
617.71

Type:
---

AlogP:
1.09

Polar Surface Area:
211.30

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5272607

Name:
(E)-N'-(4-hydroxybenzylidene)-2-((4-methoxyphenyl)amino)thiazole-4-carbohydShow More⌵

Mol. Formula:
C18H16N4O3S

M.W.:
368.42

Type:
---

AlogP:
3.36

Polar Surface Area:
95.84

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5272601

Name:
7-nitro-3-(phenylamino)benzo[e][1,2,4]triazine 1,4-dioxide

Mol. Formula:
C13H9N5O4

M.W.:
299.25

Type:
---

AlogP:
1.15

Polar Surface Area:
121.94

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272600

Name:
3-(1H-benzimidazol-2-yl)-5-(3-benzyloxyphenyl)-1H-indazole

Mol. Formula:
C27H20N4O

M.W.:
416.48

Type:
---

AlogP:
6.35

Polar Surface Area:
66.59

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5272582

Name:
(R)-methyl 2-(2'-chloro-4',6'-difluoro-4-hydroxy-5-iodo-[1,1'-biphenyl]-3-yShow More⌵

Mol. Formula:
C17H13ClF2INO4

M.W.:
495.65

Type:
---

AlogP:
3.89

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272562

Name:
8,8-Dimethyl-8H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline

Mol. Formula:
C19H15NO2

M.W.:
289.33

Type:
---

AlogP:
4.27

Polar Surface Area:
31.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5272558

Name:
(2S)-2-{Bis[(1H-imidazol-4-yl)methyl]amino}-5-(3-phenyl-5-sulfanylidene-4,5Show More⌵

Mol. Formula:
C21H24N8O2S

M.W.:
452.54

Type:
---

AlogP:
2.99

Polar Surface Area:
131.51

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5272552

Name:
(5aS,6S,8S,9aS,10R)-10-hydroxy-8-isopropyl-5a,9,9-trimethyl-1-oxo-3-(pyridiShow More⌵

Mol. Formula:
C25H31NO6

M.W.:
441.52

Type:
---

AlogP:
4.14

Polar Surface Area:
98.86

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272541

Name:
2-((2,5-dimethylphenyl)amino)-6-methyl-5-phenylnicotinonitrile

Mol. Formula:
C21H19N3

M.W.:
313.40

Type:
---

AlogP:
5.29

Polar Surface Area:
48.71

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272533

Name:
5-bromo-N4-(1-methyl-1H-indol-6-yl)-N2-(4-(4-methylpiperazin-1-yl)phenyl)pyShow More⌵

Mol. Formula:
C24H26BrN7

M.W.:
492.43

Type:
---

AlogP:
4.97

Polar Surface Area:
61.25

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272526

Name:
N-(1H-benzo[d]imidazol-2-yl)-2-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)aShow More⌵

Mol. Formula:
C18H16N6O2

M.W.:
348.37

Type:
---

AlogP:
2.47

Polar Surface Area:
97.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5272501

Name:
(2-Hydroxyethyl)-{4-[(3-iodo-[1,1'-biphenyl]-4-yl)oxy]butyl}-dimethylammoniShow More⌵

Mol. Formula:
C20H27BrINO2

M.W.:
520.25

Type:
---

AlogP:
4.19

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS