Compounds

ALA5272485

Name:
methyl 4-((5R)-7-(4-cyano-3-(trifluoromethyl)phenyl)-6-oxo-8-thioxo-2-oxa-7Show More⌵

Mol. Formula:
C23H16F4N2O4S

M.W.:
492.45

Type:
---

AlogP:
4.37

Polar Surface Area:
79.63

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5272426

Name:
3-chloro-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C14H11ClF3N3O2

M.W.:
345.71

Type:
---

AlogP:
3.90

Polar Surface Area:
67.15

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5272305

Name:
2-[2-(benzyloxymethyl)-3-formyl-4,5-dihydroxy-6-methyl-phenyl]benzonitrile

Mol. Formula:
C23H19NO4

M.W.:
373.41

Type:
---

AlogP:
4.47

Polar Surface Area:
90.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5272266

Name:
5-((3S,10S,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,16Show More⌵

Mol. Formula:
C24H32O3

M.W.:
368.52

Type:
---

AlogP:
5.05

Polar Surface Area:
50.44

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5272151

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-(p-tolyl)benzaldehyde

Mol. Formula:
C23H22O4

M.W.:
362.43

Type:
---

AlogP:
4.91

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5271500

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-[4-(trifluoromethoxy)phenyl]beShow More⌵

Mol. Formula:
C23H19F3O5

M.W.:
432.39

Type:
---

AlogP:
5.50

Polar Surface Area:
75.99

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271105

Name:
3-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxymethyl]-5,6-dihydroxy-4-methylShow More⌵

Mol. Formula:
C22H18F2O4

M.W.:
384.38

Type:
---

AlogP:
4.88

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5270583

Name:
2,3-dihydroxy-4-methyl-5-phenyl-6-[[3-(trifluoromethyl)phenyl]methoxymethylShow More⌵

Mol. Formula:
C23H19F3O4

M.W.:
416.39

Type:
---

AlogP:
5.62

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5269526

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-(1-naphthyl)benzaldehyde

Mol. Formula:
C26H22O4

M.W.:
398.46

Type:
---

AlogP:
5.76

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5269520

Name:
N-((1r,3r)-3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)-4-((5Show More⌵

Mol. Formula:
C51H59Cl4N5O9

M.W.:
1027.87

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269103

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-[2-(trifluoromethyl)phenyl]benShow More⌵

Mol. Formula:
C23H19F3O4

M.W.:
416.39

Type:
---

AlogP:
5.62

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5268875

Name:
2-(benzyloxymethyl)-3-(2-bromophenyl)-5,6-dihydroxy-4-methyl-benzaldehyde

Mol. Formula:
C22H19BrO4

M.W.:
427.29

Type:
---

AlogP:
5.37

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5268639

Name:
2-[(4-fluorophenyl)methoxymethyl]-5,6-dihydroxy-4-methyl-3-phenyl-benzaldehShow More⌵

Mol. Formula:
C22H19FO4

M.W.:
366.39

Type:
---

AlogP:
4.74

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5268433

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-(trimethylsilyloxymethyl)benzaShow More⌵

Mol. Formula:
C20H26O5Si

M.W.:
374.51

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268150

Name:
disodium 2-[[(Z)-[7-[(8Z)-1,6-dihydroxy-5-isopropyl-3-methyl-7-oxo-8-[(2-suShow More⌵

Mol. Formula:
C34H40N2Na2O12S2

M.W.:
778.81

Type:
---

AlogP:
3.90

Polar Surface Area:
247.86

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5268130

Name:
2-(benzyloxymethyl)-3-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dihydroxy-4-Show More⌵

Mol. Formula:
C23H18ClF3O4

M.W.:
450.84

Type:
---

AlogP:
6.27

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5267953

Name:
2-(benzyloxymethyl)-3-(2-chloro-4-fluoro-phenyl)-5,6-dihydroxy-4-methyl-benShow More⌵

Mol. Formula:
C22H18ClFO4

M.W.:
400.83

Type:
---

AlogP:
5.40

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282270

Name:
2-(benzyloxymethyl)-5,6-dihydroxy-4-methyl-3-(o-tolyl)benzaldehyde

Mol. Formula:
C23H22O4

M.W.:
362.43

Type:
---

AlogP:
4.91

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5282215

Name:
2-(benzyloxymethyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5,6-dihydroxy-4-mShow More⌵

Mol. Formula:
C23H18BrF3O4

M.W.:
495.29

Type:
---

AlogP:
6.38

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5281709

Name:
6-(benzyloxymethyl)-2,3-dihydroxy-4-methyl-benzaldehyde

Mol. Formula:
C16H16O4

M.W.:
272.30

Type:
---

AlogP:
2.94

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS