Compounds

ALA5267028

Name:
ethyl 2-benzyl-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboShow More⌵

Mol. Formula:
C21H20O6

M.W.:
368.39

Type:
---

AlogP:
3.07

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5266454

Name:
Sycosterol A

Mol. Formula:
C27H48O9S

M.W.:
548.74

Type:
---

AlogP:
2.30

Polar Surface Area:
164.75

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5266094

Name:
ethyl 4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-oxo-3-phenyl-2,5-dihydrofuranShow More⌵

Mol. Formula:
C21H20O6

M.W.:
368.39

Type:
---

AlogP:
3.07

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5281095

Name:
2,3,6,7-tetrahydroxy-9,9,10,10-tetramethylphenanthrene

Mol. Formula:
C18H20O4

M.W.:
300.35

Type:
---

AlogP:
3.74

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5280933

Name:
2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-6-methoxy-1,3-benzothiazShow More⌵

Mol. Formula:
C19H20BNO3S

M.W.:
353.25

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280285

Name:
2,3,6,7-tetrahydroxy-9,10-dimethylphenanthrene

Mol. Formula:
C16H14O4

M.W.:
270.28

Type:
---

AlogP:
3.43

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5278856

Name:
6-methoxy-3-methyl-2-[4-(pyrrolidin-1-yl)phenyl]-1,3-benzothiazol-3-ium

Mol. Formula:
C19H21N2OS+

M.W.:
325.46

Type:
---

AlogP:
4.00

Polar Surface Area:
16.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5278389

Name:
Procerolide E

Mol. Formula:
C18H13Br3O5

M.W.:
549.01

Type:
---

AlogP:
4.56

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5277771

Name:
6-methoxy-3-methyl-2-[4-(piperidin-1-yl)phenyl]-1,3-benzothiazol-3-ium

Mol. Formula:
C20H23N2OS+

M.W.:
339.48

Type:
---

AlogP:
4.39

Polar Surface Area:
16.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5277393

Name:
meso/rac-2,3-Bis(3,4-dihydroxyphenyl)butane

Mol. Formula:
C16H18O4

M.W.:
274.32

Type:
---

AlogP:
3.42

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5277092

Name:
2-[4-(azocan-1-yl)phenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium

Mol. Formula:
C22H27N2OS+

M.W.:
367.54

Type:
---

AlogP:
5.17

Polar Surface Area:
16.35

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5276896

Name:
(2E)-2-[[5-[4-(hydroxymethyl)phenyl]-2-thienyl]methylene]indan-1-one

Mol. Formula:
C21H16O2S

M.W.:
332.42

Type:
---

AlogP:
4.73

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5275902

Name:
ethyl 4-hydroxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-5-oxo-2,5-dShow More⌵

Mol. Formula:
C22H22O7

M.W.:
398.41

Type:
---

AlogP:
3.07

Polar Surface Area:
91.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5274551

Name:
1-[2-({2-[4-(dimethylamino)phenyl]-3-hydroxy-4-oxo-4H-chromen-7-yl}(methyl)Show More⌵

Mol. Formula:
C24H23N3O5

M.W.:
433.46

Type:
---

AlogP:
2.59

Polar Surface Area:
94.30

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5273308

Name:
(6R,7S)-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene-2,3,10,11-teShow More⌵

Mol. Formula:
C18H20O4

M.W.:
300.35

Type:
---

AlogP:
3.55

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5291262

Name:
2,3,5,6-tetrahydroxy-9,10-dihydrophenanthrene

Mol. Formula:
C14H12O4

M.W.:
244.25

Type:
---

AlogP:
2.27

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5291087

Name:
2-[4-(dimethylamino)phenyl]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium

Mol. Formula:
C17H19N2OS+

M.W.:
299.42

Type:
---

AlogP:
3.47

Polar Surface Area:
16.35

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5290387

Name:
6-(4-(4-amino-6-((4-phenoxyphenyl)amino)-1,3,5-triazin-2-yl)-2-benzylpiperaShow More⌵

Mol. Formula:
C39H40N12O3

M.W.:
724.83

Type:
---

AlogP:
5.89

Polar Surface Area:
173.62

HBA:
15

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5290017

Name:
3-ethyl-2-[(1E)-2-{[(2Z)-3-ethyl-5-[(1Z,4E)-5-phenylpenta-1,4-dien-1-yl]-2,Show More⌵

Mol. Formula:
C31H35IN2S2

M.W.:
626.67

Type:
---

AlogP:
8.72

Polar Surface Area:
7.12

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5289110

Name:
ethyl 2-benzyl-4-hydroxy-5-oxo-3-phenyl-2,5-dihydrofuran-2-carboxylate

Mol. Formula:
C20H18O5

M.W.:
338.36

Type:
---

AlogP:
3.06

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS