Compounds

ALA5267669

Name:
Lucidone H

Mol. Formula:
C24H30O5

M.W.:
398.50

Type:
---

AlogP:
3.43

Polar Surface Area:
85.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5267607

Name:
25,26,27-trinorcucurbit-5-ene-3, 7, 23-trione

Mol. Formula:
C27H42O3

M.W.:
414.63

Type:
---

AlogP:
5.75

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5267480

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

Mol. Formula:
C35H46N2O10

M.W.:
654.76

Type:
---

AlogP:
2.95

Polar Surface Area:
163.32

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5267431

Name:
7-(4-(dimethylamino)butoxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-Show More⌵

Mol. Formula:
C33H43NO10

M.W.:
613.70

Type:
---

AlogP:
3.61

Polar Surface Area:
151.29

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5267392

Name:
21S,23R-21/23,23/27-diepoxy-21-hydroxycycloartan-1,24-diene-3,27-dione

Mol. Formula:
C30H42O5

M.W.:
482.66

Type:
---

AlogP:
5.12

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267391

Name:
(Z)-2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)ethyl-4-(4-(((diethoxyphShow More⌵

Mol. Formula:
C42H52NO10P

M.W.:
761.85

Type:
---

AlogP:
9.52

Polar Surface Area:
120.01

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5267369

Name:
3-mercapto-6-((E)-2-(thiophen-2-yl)vinyl)-4-((E)-thiophen-2-ylmethyleneaminShow More⌵

Mol. Formula:
C14H10N4OS3

M.W.:
346.46

Type:
---

AlogP:
3.10

Polar Surface Area:
60.14

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5267366

Name:
3-(1H-indol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one oxime

Mol. Formula:
C20H20N2O4

M.W.:
352.39

Type:
---

AlogP:
4.09

Polar Surface Area:
76.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267317

Name:
(E)-1-(3-mercapto-5-oxo-6-(2-(thiophen-2-yl)vinyl)-1,2,4-triazin-4(5H)-yl)-Show More⌵

Mol. Formula:
C16H13N5OS3

M.W.:
387.51

Type:
---

AlogP:
3.10

Polar Surface Area:
71.84

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5267276

Name:
4',5'-diethyl 2'-methyl (4'R,5'R)-1-butyl-5-fluoro-2'-(2-methoxy-2-oxoethylShow More⌵

Mol. Formula:
C26H33FN2O9

M.W.:
536.55

Type:
---

AlogP:
1.40

Polar Surface Area:
137.54

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5267252

Name:
4-(2-(4-nitrophenyl)-4-oxothiazolidin-3-yl)benzenesulfonamide

Mol. Formula:
C15H13N3O5S2

M.W.:
379.42

Type:
---

AlogP:
2.02

Polar Surface Area:
123.61

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5267251

Name:
7-(3-(dimethylamino)propoxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2Show More⌵

Mol. Formula:
C32H41NO10

M.W.:
599.68

Type:
---

AlogP:
3.22

Polar Surface Area:
151.29

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5267099

Name:
N-(6-chlorobenzo[d]thiazol-2-yl)-2-((4,5-dimethyl-1-((4-nitrophenyl)amino)-Show More⌵

Mol. Formula:
C20H17ClN6O3S2

M.W.:
488.98

Type:
---

AlogP:
5.28

Polar Surface Area:
114.98

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5267085

Name:
(Z)-2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)ethyl-4-(4-(((diethoxyphShow More⌵

Mol. Formula:
C41H49ClNO10P

M.W.:
782.27

Type:
---

AlogP:
9.87

Polar Surface Area:
120.01

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5267055

Name:
Crassarosterol A

Mol. Formula:
C28H46O3

M.W.:
430.67

Type:
---

AlogP:
5.50

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5266937

Name:
(2S,3S,4R,5R)-2-(((S)-1-(dodecyloxy)-3-hydroperoxypropan-2-yl)oxy)tetrahydrShow More⌵

Mol. Formula:
C20H40O8

M.W.:
408.53

Type:
---

AlogP:
2.24

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5266904

Name:
ethyl 7-amino-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-Show More⌵

Mol. Formula:
C16H14N4O7

M.W.:
374.31

Type:
---

AlogP:
0.23

Polar Surface Area:
170.41

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5266879

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

Mol. Formula:
C35H46N2O11

M.W.:
670.76

Type:
---

AlogP:
2.19

Polar Surface Area:
172.55

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5266870

Name:
(Z)-2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)ethyl-2-(4-(((diethoxyphShow More⌵

Mol. Formula:
C39H45FNO10P

M.W.:
737.76

Type:
---

AlogP:
8.57

Polar Surface Area:
120.01

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA5266852

Name:
Ganoderesin B

Mol. Formula:
C31H48O8

M.W.:
548.72

Type:
---

AlogP:
3.13

Polar Surface Area:
138.20

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS