Compounds

ALA5272680

Name:
2-((3-aminopropyl)amino)-N-(2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydrShow More⌵

Mol. Formula:
C21H30Cl3N5O3

M.W.:
506.86

Type:
---

AlogP:
0.87

Polar Surface Area:
107.77

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272664

Name:
4-methyl-5-(1-(2-(4-methyl-5-(phenyldiazenyl)thiazol-2-yl)hydrazineylidene)Show More⌵

Mol. Formula:
C16H17N7S2

M.W.:
371.50

Type:
---

AlogP:
5.05

Polar Surface Area:
100.91

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272599

Name:
Siomycin A

Mol. Formula:
C71H81N19O18S5

M.W.:
1648.88

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5272434

Name:
(3S,8R,10R,12R,14R)-12-hydroxy-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,Show More⌵

Mol. Formula:
C47H82O4

M.W.:
711.17

Type:
---

AlogP:
12.70

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5272347

Name:
2-((4-(benzo[d]thiazol-2-yl)phenyl)imino)-5-(4-methoxybenzylidene)thiazolidShow More⌵

Mol. Formula:
C24H17N3O2S2

M.W.:
443.55

Type:
---

AlogP:
5.86

Polar Surface Area:
63.58

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5272281

Name:
2-((4-methoxyphenyl)amino)-7-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carShow More⌵

Mol. Formula:
C18H15N5O2S

M.W.:
365.42

Type:
---

AlogP:
3.31

Polar Surface Area:
94.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272267

Name:
N-(2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolinShow More⌵

Mol. Formula:
C22H32Cl3N5O3

M.W.:
520.89

Type:
---

AlogP:
1.09

Polar Surface Area:
84.99

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5272207

Name:
7-((R)-3-(diethylamino)-2-hydroxypropoxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(Show More⌵

Mol. Formula:
C34H45NO11

M.W.:
643.73

Type:
---

AlogP:
2.97

Polar Surface Area:
171.52

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5272135

Name:
5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(4-(pyrrolidin-1-Show More⌵

Mol. Formula:
C35H45NO10

M.W.:
639.74

Type:
---

AlogP:
4.14

Polar Surface Area:
151.29

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5272059

Name:
2-(4-(bis(2-chloroethyl)amino)butyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2Show More⌵

Mol. Formula:
C20H21Cl2N3O4

M.W.:
438.31

Type:
---

AlogP:
3.90

Polar Surface Area:
83.76

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5271851

Name:
7-(4-fluorophenyl)-2-(phenylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Mol. Formula:
C19H14FN5O

M.W.:
347.35

Type:
---

AlogP:
3.38

Polar Surface Area:
85.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271723

Name:
ethyl 2-cyano-2-(5-(morpholinosulfonyl)-2-oxoindolin-3-ylidene)acetate

Mol. Formula:
C17H17N3O6S

M.W.:
391.41

Type:
---

AlogP:
0.50

Polar Surface Area:
125.80

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5271659

Name:
5-butyl-4H-isoquinolino[4,5-gh]quinazoline-4,6,8(5H,9H)-trione

Mol. Formula:
C18H15N3O3

M.W.:
321.34

Type:
---

AlogP:
2.47

Polar Surface Area:
83.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271540

Name:
7-(3-([1,4'-bipiperidin]-1'-yl)propoxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-Show More⌵

Mol. Formula:
C40H54N2O10

M.W.:
722.88

Type:
---

AlogP:
4.61

Polar Surface Area:
154.53

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5271492

Name:
2-((3-((3-((3-aminopropyl)amino)propyl)amino)propyl)amino)-N-(2-(2-(dimethyShow More⌵

Mol. Formula:
C27H46Cl5N7O3

M.W.:
693.98

Type:
---

AlogP:
0.83

Polar Surface Area:
131.83

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5271455

Name:
Paulomycin G

Mol. Formula:
C20H22N2O11S

M.W.:
498.47

Type:
---

AlogP:
-1.44

Polar Surface Area:
212.11

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5271418

Name:
propyl 2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinShow More⌵

Mol. Formula:
C20H22N2O4

M.W.:
354.41

Type:
---

AlogP:
2.56

Polar Surface Area:
66.92

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5271212

Name:
8,8-dimethyl-6-oxo-2-(phenylamino)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoShow More⌵

Mol. Formula:
C19H19N5O2

M.W.:
349.39

Type:
---

AlogP:
2.73

Polar Surface Area:
102.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5271145

Name:
5-hydroxy-7-(4-(4-hydroxypiperidin-1-yl)butoxy)-2-(4-methoxyphenyl)-8-(3-meShow More⌵

Mol. Formula:
C36H47NO11

M.W.:
669.77

Type:
---

AlogP:
3.50

Polar Surface Area:
171.52

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5271016

Name:
5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(3-(piperazin-1-yShow More⌵

Mol. Formula:
C34H44N2O10

M.W.:
640.73

Type:
---

AlogP:
2.56

Polar Surface Area:
163.32

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS