Compounds

ALA5272436

Name:
4beta,5beta-Epoxy-18alpha-methyl-17-oxa-D-homoandrostane-3,16-dione

Mol. Formula:
C20H28O4

M.W.:
332.44

Type:
---

AlogP:
3.27

Polar Surface Area:
55.90

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272214

Name:
(2R,4aS,6aS,12bR,14aS,14bR)-prop-2-ynyl 10-(butyl(methyl)carbamoyloxy)-2,4aShow More⌵

Mol. Formula:
C38H51NO5

M.W.:
601.83

Type:
---

AlogP:
8.10

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5272129

Name:
(6bS,8aS,11R,12bS,14aR,14bR)-4,6b,8a,11,12b,14a-hexamethyl-2-oxo-11-((prop-Show More⌵

Mol. Formula:
C44H54N2O6

M.W.:
706.92

Type:
---

AlogP:
8.20

Polar Surface Area:
85.38

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5272011

Name:
(6,7-dimethoxyquinolin-4-yl)(2,2-dimethyl-2H-chromen-6-yl)methyl cyclopropaShow More⌵

Mol. Formula:
C27H27NO5

M.W.:
445.52

Type:
---

AlogP:
5.48

Polar Surface Area:
66.88

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271791

Name:

Mol. Formula:
C34H56O14

M.W.:
688.81

Type:
---

AlogP:
2.35

Polar Surface Area:
196.74

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5271722

Name:
4-(1-(4-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-yl)-1-oxa-4-azaspiro[4.5Show More⌵

Mol. Formula:
C23H18N4O4

M.W.:
414.42

Type:
---

AlogP:
2.70

Polar Surface Area:
86.55

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5271233

Name:
4-(2-(4-(4-methylpiperazine-1-carbonyl)phenyl)imidazo[2,1-b][1,3,4]thiadiazShow More⌵

Mol. Formula:
C23H20N6OS

M.W.:
428.52

Type:
---

AlogP:
3.38

Polar Surface Area:
77.53

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5271209

Name:
6-bromo-3-chloroindole

Mol. Formula:
C8H5BrClN

M.W.:
230.49

Type:
---

AlogP:
3.58

Polar Surface Area:
15.79

HBA:
---

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5271096

Name:
N-(2-((E)-3-N-(2-((E)-3-(4-(Trifluoromethyl)phenyl)acrylamido)ethyl)-3-oxo-Show More⌵

Mol. Formula:
C32H37F3N2O3

M.W.:
554.65

Type:
---

AlogP:
5.88

Polar Surface Area:
75.27

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5271090

Name:
N-(4-(benzo[d]thiazol-2-yl)phenyl)-2-(4-(2-fluorophenyl)piperazin-1-yl)acetShow More⌵

Mol. Formula:
C25H23FN4OS

M.W.:
446.55

Type:
---

AlogP:
4.86

Polar Surface Area:
48.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5270942

Name:
Aurovertin E

Mol. Formula:
C23H30O7

M.W.:
418.49

Type:
---

AlogP:
2.53

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5270793

Name:
2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-mShow More⌵

Mol. Formula:
C30H31F3N8O3S

M.W.:
640.69

Type:
---

AlogP:
4.93

Polar Surface Area:
135.61

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5270569

Name:
(1S,2aR,3aS,3bS,4R,5aR,6R,7R,9S,9aS,9bR,11R,11aR)-1-(furan-3-yl)-4,9-dihydrShow More⌵

Mol. Formula:
C30H36O11

M.W.:
572.61

Type:
---

AlogP:
1.67

Polar Surface Area:
162.10

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270057

Name:
3,5-bis(2-hydroxybenzylidene)-1-methylpiperidin-4-one

Mol. Formula:
C20H19NO3

M.W.:
321.38

Type:
---

AlogP:
3.08

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5269950

Name:
Haloirciniamide A

Mol. Formula:
C25H32Br2ClN11O8

M.W.:
809.86

Type:
---

AlogP:
-3.51

Polar Surface Area:
299.62

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5269719

Name:
(1S,3R,4S,5S,7R,8S,9S,10S,12R,13S,14S,17S)-17-(furan-3-yl)-1-hydroxy-7-((4-Show More⌵

Mol. Formula:
C38H44O12

M.W.:
692.76

Type:
---

AlogP:
4.07

Polar Surface Area:
164.87

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5269657

Name:
(1S,3R,4S,5S,8S,9R,10S,12R,13S,14R,17S)-17-(furan-3-yl)-1-hydroxy-4,8,13-trShow More⌵

Mol. Formula:
C30H36O10

M.W.:
556.61

Type:
---

AlogP:
2.40

Polar Surface Area:
146.41

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5269612

Name:
3,5-bis(2-fluorobenzylidene)piperidin-4-one acetic acid

Mol. Formula:
C21H19F2NO3

M.W.:
371.38

Type:
---

AlogP:
3.60

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5269523

Name:
(1S,3R,4S,5S,7R,8S,9S,10S,12R,13S,14S,17S)-17-(furan-3-yl)-1-hydroxy-4,8,13Show More⌵

Mol. Formula:
C37H41NO13

M.W.:
707.73

Type:
---

AlogP:
3.97

Polar Surface Area:
198.78

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5269377

Name:
(1S,3R,4S,5S,7R,8S,9S,10S,12R,13S,14S,17S)-17-(furan-3-yl)-1,7-dihydroxy-4,Show More⌵

Mol. Formula:
C30H38O10

M.W.:
558.62

Type:
---

AlogP:
2.20

Polar Surface Area:
149.57

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS