Compounds

ALA5271023

Name:
ethyl 4-hydroxy-3-(3-methoxyphenyl)-2-[(3-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

ALA5270314

Name:
2-[(Z)-1-[(E)-2-(1,3-diphenylbenzo[f]benzimidazol-3-ium-2-yl)vinyl]-3-(1,3-Show More⌵

Mol. Formula:
C53H41N4O2+

M.W.:
765.94

Type:
---

AlogP:
11.95

Polar Surface Area:
44.75

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5270238

Name:
Methyl procerolate A

Mol. Formula:
C18H17Br3O6

M.W.:
569.04

Type:
---

AlogP:
3.65

Polar Surface Area:
96.22

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5269836

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

Mol. Formula:
C16H16O4

M.W.:
272.30

Type:
---

AlogP:
3.40

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5269572

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

Mol. Formula:
C22H22O5

M.W.:
366.41

Type:
---

AlogP:
3.67

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5269218

Name:
({4-[(1E)-1,2-diphenyl-2-{4-[(triphenylphosphaniumyl)methyl]phenyl}ethenyl]Show More⌵

Mol. Formula:
C64H52Br2P2

M.W.:
1042.88

Type:
---

AlogP:
13.68

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5268931

Name:
2,3,5,6-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

ALA5268436

Name:
3-bromo-4-methoxyphenylacetamide

Mol. Formula:
C9H10BrNO2

M.W.:
244.09

Type:
---

AlogP:
1.49

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.88

DETAILS

ALA5267967

Name:
6-[(4-methylphenyl)amino]naphthalene-2-sulfonic acid

Mol. Formula:
C17H15NO3S

M.W.:
313.38

Type:
---

AlogP:
4.14

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

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