Compounds

ALA5267709

Name:
(5S)-6-(((S)-1-(((S)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenyShow More⌵

Mol. Formula:
C32H54N7O6+

M.W.:
632.83

Type:
---

AlogP:
-0.68

Polar Surface Area:
191.75

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5267708

Name:
N-(2-(5-(5-(2-Cyclopentylethyl)-1,2,4-oxadiazol-3-yl)-1H-benzo[d]imidazole-Show More⌵

Mol. Formula:
C26H26F3N5O2

M.W.:
497.52

Type:
---

AlogP:
5.66

Polar Surface Area:
85.84

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5267707

Name:
17-bromo-4,26-epoxyoscillatoxin B2

Mol. Formula:
C32H43BrO10

M.W.:
667.59

Type:
---

AlogP:
5.09

Polar Surface Area:
133.28

HBA:
10

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5267706

Name:
7-bromo-6-chloro-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-2-one

Mol. Formula:
C10H7BrClN3O

M.W.:
300.54

Type:
---

AlogP:
2.04

Polar Surface Area:
44.70

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5267705

Name:
2-(2,6-dimethyl-4-oxo-1,4-dihydroquinolin-3-yl)acetic acid

Mol. Formula:
C13H13NO3

M.W.:
231.25

Type:
---

AlogP:
1.77

Polar Surface Area:
70.16

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5267704

Name:
ethyl 2,7-dimethyl-3-((1-octyl-1H-1,2,3-triazol-4-yl)methyl)-4-oxo-5-phenylShow More⌵

Mol. Formula:
C29H37N5O4

M.W.:
519.65

Type:
---

AlogP:
4.91

Polar Surface Area:
101.13

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5267703

Name:

Mol. Formula:
C26H31N5OS

M.W.:
461.64

Type:
---

AlogP:
5.10

Polar Surface Area:
67.24

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5267702

Name:
4-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl]benzene-Show More⌵

Mol. Formula:
C23H21N3O4S

M.W.:
435.51

Type:
---

AlogP:
3.33

Polar Surface Area:
102.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5267701

Name:
((6'R,7'S,7a'R)-7'-(2-chloro-8-methylquinolin-3-yl)-1',6',7',7a'-tetrahydroShow More⌵

Mol. Formula:
C44H31ClN4O2S

M.W.:
715.28

Type:
---

AlogP:
9.27

Polar Surface Area:
76.05

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5267700

Name:
(4-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoyl)glycine

Mol. Formula:
C18H18N2O5S

M.W.:
374.42

Type:
---

AlogP:
1.25

Polar Surface Area:
103.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5267699

Name:
2-[4-(4-methyl-3-pyridyl)pyrazolo[3,4-b]pyridin-1-yl]thiazole

Mol. Formula:
C15H11N5S

M.W.:
293.36

Type:
---

AlogP:
3.25

Polar Surface Area:
56.49

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5267698

Name:
1-((3S,6S,19S)-3,6-bis(4-aminobutyl)-2,5,8,12,15,18-hexaoxo-1,4,7,11,14,17-Show More⌵

Mol. Formula:
C26H49N11O6

M.W.:
611.75

Type:
---

AlogP:
-3.90

Polar Surface Area:
288.54

HBA:
9

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5267697

Name:
Sulfoquinovosyldiacylglycerol

Mol. Formula:
C44H83NaO12S

M.W.:
859.19

Type:
---

AlogP:
8.94

Polar Surface Area:
186.12

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
40

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5267696

Name:
N1-((R)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pShow More⌵

Mol. Formula:
C54H65F3N10O6S

M.W.:
1039.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5267695

Name:
(S)-N1-((2S,3S)-1-((4R,7R)-4-carbamoyl-6-oxo-1,2,5-dithiazocan-7-ylamino)-3Show More⌵

Mol. Formula:
C36H61N15O11S4

M.W.:
1008.25

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5267694

Name:
4-(2-amino-5-(3,4-difluorophenyl)-4-ethylpyridin-3-yl)phenol

Mol. Formula:
C19H16F2N2O

M.W.:
326.35

Type:
---

AlogP:
4.54

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267693

Name:
Guttiferone I

Mol. Formula:
C38H50O6

M.W.:
602.81

Type:
---

AlogP:
9.06

Polar Surface Area:
111.90

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5267692

Name:
(3R,3aR,4R,9aS,9bR)-3,9-dimethyl-4-(((E)-2-methylbut-2-enoyl)oxy)-2,7-dioxoShow More⌵

Mol. Formula:
C20H22O7

M.W.:
374.39

Type:
---

AlogP:
1.97

Polar Surface Area:
106.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5267691

Name:
2'-((1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-2'H-spiro[cyclohexaneShow More⌵

Mol. Formula:
C23H23FN4O

M.W.:
390.46

Type:
---

AlogP:
4.26

Polar Surface Area:
51.02

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5267690

Name:
(2S)-1-(1-(6-(4-(2-hydroxypropan-2-yl)-2-azabicyclo[2.1.1]hexan-2-yl)pyrimiShow More⌵

Mol. Formula:
C24H26N6O

M.W.:
414.51

Type:
---

AlogP:
3.36

Polar Surface Area:
90.86

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS