Compounds

ALA5272681

Name:
Penicipyridone H

Mol. Formula:
C24H29NO4

M.W.:
395.50

Type:
---

AlogP:
4.73

Polar Surface Area:
82.55

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5272674

Name:
(2R,3R,4S,5S,6R)-2-(((6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofuro[Show More⌵

Mol. Formula:
C23H26O10

M.W.:
462.45

Type:
---

AlogP:
0.49

Polar Surface Area:
136.30

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272669

Name:
8-hydroxymethyl-2-hydroxy-1-methyl-5-vinyl-9,10-dihydrophenanthrene

Mol. Formula:
C18H18O2

M.W.:
266.34

Type:
---

AlogP:
3.60

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5272636

Name:
(2R,3R,4S,5S,6R)-2-(((R)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-Show More⌵

Mol. Formula:
C25H34O9

M.W.:
478.54

Type:
---

AlogP:
1.33

Polar Surface Area:
160.07

HBA:
9

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5272581

Name:
Walindicaone H

Mol. Formula:
C22H27NO4

M.W.:
369.46

Type:
---

AlogP:
3.74

Polar Surface Area:
79.39

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5272523

Name:
(2R,3S,4R,5S)-2-(((S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl)oxy)-4,Show More⌵

Mol. Formula:
C33H36O12

M.W.:
624.64

Type:
---

AlogP:
2.83

Polar Surface Area:
203.44

HBA:
12

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5272454

Name:
(4aS,6aS,6bR,8aR,13aR,13bR,15bS)-11-(1,3-dihydroxypropan-2-yl)-2,2,6a,6b,9,Show More⌵

Mol. Formula:
C34H52N2O4

M.W.:
552.80

Type:
---

AlogP:
6.31

Polar Surface Area:
95.58

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5272335

Name:
Latifoliamide D

Mol. Formula:
C19H17N3O

M.W.:
303.37

Type:
---

AlogP:
3.17

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5272311

Name:
Nardochinoid C

Mol. Formula:
C27H32O3

M.W.:
404.55

Type:
---

AlogP:
6.90

Polar Surface Area:
47.28

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5272303

Name:
3-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,Show More⌵

Mol. Formula:
C29H38ClN3OS

M.W.:
512.16

Type:
---

AlogP:
6.63

Polar Surface Area:
61.85

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5272236

Name:
(S)-4-(5-hydroxy-7-(4-hydroxyphenyl)heptyl)benzene-1,2-diol

Mol. Formula:
C19H24O4

M.W.:
316.40

Type:
---

AlogP:
3.51

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5272188

Name:
(2R,3S,4R,5S)-2-(((S)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl)oxy)-4,Show More⌵

Mol. Formula:
C29H38O11

M.W.:
562.61

Type:
---

AlogP:
2.45

Polar Surface Area:
183.21

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5272153

Name:
5-(2,5-dimethylphenoxy)-N-(1-(4-methoxybenzyl)piperidin-4-yl)-2,2-dimethylpShow More⌵

Mol. Formula:
C28H40N2O3

M.W.:
452.64

Type:
---

AlogP:
5.28

Polar Surface Area:
50.80

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272093

Name:
1-((2aR,3R,4R,5aS,6S,7R,8aS)-4,6-dihydroxy-4,7-dimethyl-6-phenyldecahydro-1Show More⌵

Mol. Formula:
C36H48N2O4

M.W.:
572.79

Type:
---

AlogP:
4.61

Polar Surface Area:
84.24

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5271924

Name:
(S)-16-hydroxy-32-methoxy-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymShow More⌵

Mol. Formula:
C26H32O10

M.W.:
504.53

Type:
---

AlogP:
1.22

Polar Surface Area:
155.14

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5271853

Name:
(S)-Methyl-2-((2S,3R)-3-(2-(4-((((1aR,4aR,6S,7S,7aR,8R,11aS,E)-4a,7-dihydroShow More⌵

Mol. Formula:
C42H59N5O9

M.W.:
777.96

Type:
---

AlogP:
2.84

Polar Surface Area:
202.20

HBA:
12

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5271741

Name:
Benzyl 3-O-(3-(3-(benzyloxyamino)-3-oxopropyldisulfanyl)-1-oxoprop-1-yl)fusShow More⌵

Mol. Formula:
C51H69NO9S2

M.W.:
904.25

Type:
---

AlogP:
10.29

Polar Surface Area:
137.46

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5271708

Name:
2,7-dihydroxy-5-hydroxymethyl-1-methyl-9,10-dihydrophenathrene

Mol. Formula:
C16H16O3

M.W.:
256.30

Type:
---

AlogP:
2.66

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5271576

Name:
N-(1-(4-(methoxy)benzyl)piperidin-4-yl)-2-(4-(4-chlorobenzoyl)phenoxy)-2-meShow More⌵

Mol. Formula:
C30H33ClN2O4

M.W.:
521.06

Type:
---

AlogP:
5.52

Polar Surface Area:
67.87

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271297

Name:
((1R,7aR)-hexahydro-1H-pyrrolizin-1-yl)methyl benzoate

Mol. Formula:
C15H19NO2

M.W.:
245.32

Type:
---

AlogP:
2.33

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS