Compounds

ALA5272255

Name:
3-(o-aminophenyl)-lupa-2,20(29)-dien-28-oic acid

Mol. Formula:
C36H51NO2

M.W.:
529.81

Type:
---

AlogP:
9.00

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272128

Name:
3-(o-methoxycarbonylphenyl)-lupa-2,20(29)-dien-28-oic acid

Mol. Formula:
C38H52O4

M.W.:
572.83

Type:
---

AlogP:
9.21

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5271273

Name:
(+/-)-Blestanol K

Mol. Formula:
C29H26O5

M.W.:
454.52

Type:
---

AlogP:
5.39

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5270504

Name:
3-cyano-N-(4-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzamide

Mol. Formula:
C26H20N2O6

M.W.:
456.45

Type:
---

AlogP:
4.61

Polar Surface Area:
110.79

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5269483

Name:
(Sp)-3'-Deoxyadenosine 5'-O-phenyl-(benzoxy-L-alaninyl)phosphate

Mol. Formula:
C26H29N6O7P

M.W.:
568.53

Type:
---

AlogP:
2.98

Polar Surface Area:
172.94

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5269253

Name:
N,N-diethyl-2-imino-3-(thiazolo[5,4-b]pyridin-2-yl)-2H-chromen-7-amine

Mol. Formula:
C19H18N4OS

M.W.:
350.45

Type:
---

AlogP:
4.43

Polar Surface Area:
66.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5267787

Name:
3'-Deoxyadenosine 5'-O-naphth-1-yl-(pent-1-oxy-L-leucinyl)phosphate

Mol. Formula:
C30H39N6O7P

M.W.:
626.65

Type:
---

AlogP:
4.76

Polar Surface Area:
172.94

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5282203

Name:
4-fluoro-N-(4-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzamide

Mol. Formula:
C25H20FNO6

M.W.:
449.43

Type:
---

AlogP:
4.88

Polar Surface Area:
87.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5281849

Name:
3'-deoxyadenosine-5'-bis-O-[benzoxy-L-alaninyl)phosphate

Mol. Formula:
C30H36N7O8P

M.W.:
653.63

Type:
---

AlogP:
2.62

Polar Surface Area:
202.04

HBA:
13

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5280363

Name:
N-(4-bromophenyl)-3-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)benzamide

Mol. Formula:
C25H20BrNO6

M.W.:
510.34

Type:
---

AlogP:
5.50

Polar Surface Area:
87.00

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5280260

Name:
Guaianodilactone A

Mol. Formula:
C30H38O5

M.W.:
478.63

Type:
---

AlogP:
4.90

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5280077

Name:
3-(1H-benzo[d]imidazol-2-yl)-N,N-diethyl-2-imino-2H-chromen-7-amine

Mol. Formula:
C20H20N4O

M.W.:
332.41

Type:
---

AlogP:
4.30

Polar Surface Area:
68.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5279711

Name:
Guaianodilactone C

Mol. Formula:
C29H36O5

M.W.:
464.60

Type:
---

AlogP:
4.51

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5279555

Name:
Dimethyl (5-(((2-amino-5-chloro-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)amiShow More⌵

Mol. Formula:
C21H22ClN5O6S

M.W.:
507.96

Type:
---

AlogP:
2.06

Polar Surface Area:
165.50

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5279369

Name:
methyl 2-amino-5-(((4-isopropylbenzyl)thio)methyl)thiophene-3-carboxylate

Mol. Formula:
C17H21NO2S2

M.W.:
335.49

Type:
---

AlogP:
4.67

Polar Surface Area:
52.32

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5279187

Name:
3-(m-nitrophenyl)-lupa-2,20(29)-dien-28-oic acid

Mol. Formula:
C36H49NO4

M.W.:
559.79

Type:
---

AlogP:
9.33

Polar Surface Area:
80.44

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5279142

Name:
Carpedilactone D

Mol. Formula:
C30H38O6

M.W.:
494.63

Type:
---

AlogP:
3.87

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5278717

Name:
Faberidilactone F

Mol. Formula:
C30H38O6

M.W.:
494.63

Type:
---

AlogP:
3.87

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5277306

Name:
4-(trifluoromethyl)-N-(4-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benShow More⌵

Mol. Formula:
C26H20F3NO6

M.W.:
499.44

Type:
---

AlogP:
5.76

Polar Surface Area:
87.00

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5277218

Name:
Pleionol

Mol. Formula:
C23H22O5

M.W.:
378.42

Type:
---

AlogP:
4.10

Polar Surface Area:
79.15

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS