Compounds

ALA5272678

Name:
N-(4-acetamidophenyl)-2-cyano-2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)aceShow More⌵

Mol. Formula:
C21H18N4O2S

M.W.:
390.47

Type:
---

AlogP:
4.43

Polar Surface Area:
85.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5272666

Name:
3-benzyl-1-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-1H-imidazShow More⌵

Mol. Formula:
C25H22BrN3O2

M.W.:
476.37

Type:
---

AlogP:
3.66

Polar Surface Area:
46.19

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5272592

Name:
(6bS)-8-Acetyl-6,9-dihydroxy-5,6b-dimethyl-3-(4-(trifluoromethyl)phenyl)-2,Show More⌵

Mol. Formula:
C26H19F3O7

M.W.:
500.43

Type:
---

AlogP:
4.94

Polar Surface Area:
110.13

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5272560

Name:
Pauciflorin B

Mol. Formula:
C19H22O3

M.W.:
298.38

Type:
---

AlogP:
3.75

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5272534

Name:
5-(acetyloxy)-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3-{[(2S,3Show More⌵

Mol. Formula:
C37H40O15

M.W.:
724.71

Type:
---

AlogP:
4.75

Polar Surface Area:
189.40

HBA:
15

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5272431

Name:
Sacleuximine A

Mol. Formula:
C42H64N2O3

M.W.:
644.99

Type:
---

AlogP:
11.85

Polar Surface Area:
76.56

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5272427

Name:
Ethyl (S)-2-((tert-butoxycarbonyl)amino)-4-(phenylcarbamoyl)pent-4-enoate

Mol. Formula:
C19H26N2O5

M.W.:
362.43

Type:
---

AlogP:
3.03

Polar Surface Area:
93.73

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272412

Name:
N-(4-hydroxy-3-methoxybenzyl)-5-(3-isopropyloxiran-2-yl)pentanamide

Mol. Formula:
C18H27NO4

M.W.:
321.42

Type:
---

AlogP:
3.00

Polar Surface Area:
71.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5272353

Name:
1-(4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epShow More⌵

Mol. Formula:
C24H31N3O5

M.W.:
441.53

Type:
---

AlogP:
3.91

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272343

Name:
1,3-bis(((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxShow More⌵

Mol. Formula:
C33H51NO11

M.W.:
637.77

Type:
---

AlogP:
5.27

Polar Surface Area:
124.89

HBA:
12

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5272323

Name:
3-phenyl-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)prop-2-en-1-one

Mol. Formula:
C21H23NO2

M.W.:
321.42

Type:
---

AlogP:
4.06

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272295

Name:
2-(3-(di(1H-indol-3-yl)methyl)phenoxy)aniline

Mol. Formula:
C29H23N3O

M.W.:
429.52

Type:
---

AlogP:
7.20

Polar Surface Area:
66.83

HBA:
2

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272222

Name:
methyl (2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10Show More⌵

Mol. Formula:
C55H92N2O8

M.W.:
909.35

Type:
---

AlogP:
8.74

Polar Surface Area:
165.42

HBA:
8

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5272149

Name:
4-(4-chlorophenyl)-3,4-dihydro-1H-chromeno[4,3-d]pyrimidine-2,5-dione

Mol. Formula:
C17H11ClN2O3

M.W.:
326.74

Type:
---

AlogP:
3.67

Polar Surface Area:
71.34

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272141

Name:
N1-hydroxy-N8-(5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl)octanediamidShow More⌵

Mol. Formula:
C15H20N4O3S2

M.W.:
368.48

Type:
---

AlogP:
3.36

Polar Surface Area:
104.21

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5272131

Name:
4-((6bS)-8-Acetyl-6,9-dihydroxy-5,6b-dimethyl-1,7-dioxo-2,3,6b,7-tetrahydroShow More⌵

Mol. Formula:
C26H20O9

M.W.:
476.44

Type:
---

AlogP:
3.62

Polar Surface Area:
147.43

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5272117

Name:
7-(1,4-Diazepan-1-yl)-5-(4-methylphenyl)-2-phenyl-1,3-oxazolo[4,5-d]pyrimidShow More⌵

Mol. Formula:
C23H23N5O

M.W.:
385.47

Type:
---

AlogP:
4.06

Polar Surface Area:
67.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272109

Name:
2'-phenylspiro[indoline-3,3'-pyrrolidin]-2-one

Mol. Formula:
C17H16N2O

M.W.:
264.33

Type:
---

AlogP:
2.61

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA5272089

Name:
2-((4-(benzo[d]oxazol-2-yl)phenyl)imino)-5-(4-chlorobenzylidene)thiazolidinShow More⌵

Mol. Formula:
C23H14ClN3O2S

M.W.:
431.90

Type:
---

AlogP:
6.04

Polar Surface Area:
67.49

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5272083

Name:
Jadomycin W

Mol. Formula:
C34H28N2O9

M.W.:
608.60

Type:
---

AlogP:
3.82

Polar Surface Area:
158.62

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS