Compounds

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

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

ALA5267605

Name:
6-chloro-4,9-dihydrospiro[benzo[b]furo[3,4-e][1,4]diazepine-10,3'-indoline]Show More⌵

Mol. Formula:
C18H12ClN3O3

M.W.:
353.76

Type:
---

AlogP:
2.84

Polar Surface Area:
79.46

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5267576

Name:
(E)-2-(2-(2,4-dichlorostyryl)-5-nitro-1H-imidazol-1-yl)ethyl 2,3-dihydrobenShow More⌵

Mol. Formula:
C22H17Cl2N3O6

M.W.:
490.30

Type:
---

AlogP:
4.90

Polar Surface Area:
105.72

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5267573

Name:
2-methoxy-4-(1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)phenol

Mol. Formula:
C18H17NO2

M.W.:
279.34

Type:
---

AlogP:
3.84

Polar Surface Area:
34.25

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5267493

Name:
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-N-(2-(2-(2-(2-((2-(2,6-dioxopipeShow More⌵

Mol. Formula:
C51H74N4O9

M.W.:
887.17

Type:
---

AlogP:
6.68

Polar Surface Area:
172.60

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5267438

Name:
2-(3-bromophenyl)-1-(2-(((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldecahydShow More⌵

Mol. Formula:
C41H60BrN3O10

M.W.:
834.85

Type:
---

AlogP:
7.07

Polar Surface Area:
128.72

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5267313

Name:
5-(benzo[b]thiophen-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole

Mol. Formula:
C20H19NO4S

M.W.:
369.44

Type:
---

AlogP:
4.79

Polar Surface Area:
49.28

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5267310

Name:
3,5-bis(2,4-dichlorobenzylidene)piperidin-4-one

Mol. Formula:
C19H13Cl4NO

M.W.:
413.13

Type:
---

AlogP:
5.94

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5267108

Name:
2'-benzoyl-1'-(9-chloro-2,3-dimethyl-6,7-dihydro-5H-benzo[7]annulen-8-yl)-5Show More⌵

Mol. Formula:
C34H32ClIN2O2

M.W.:
663.00

Type:
---

AlogP:
7.64

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5267064

Name:
methyl 2,6-bis(4-methoxyphenyl)-4-oxo-1-phenylpiperidine-3-carboxylate

Mol. Formula:
C27H27NO5

M.W.:
445.52

Type:
---

AlogP:
4.75

Polar Surface Area:
65.07

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266979

Name:
[4-(1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)phenyl]acetate

Mol. Formula:
C19H17NO3

M.W.:
307.35

Type:
---

AlogP:
3.76

Polar Surface Area:
51.32

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266767

Name:
1-(4-(4-(1H-imidazole-2-carbonyl)phenoxy)phenyl)-3-(3-chloro-4-(trifluoromeShow More⌵

Mol. Formula:
C24H16ClF3N4O3

M.W.:
500.86

Type:
---

AlogP:
6.75

Polar Surface Area:
96.11

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5266725

Name:
4-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Mol. Formula:
C22H20N4O3

M.W.:
388.43

Type:
---

AlogP:
4.46

Polar Surface Area:
78.39

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5266691

Name:
Thioalbamide

Mol. Formula:
C61H97N14O11S4+

M.W.:
1330.80

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5266670

Name:
N-((E)-11-((12Z,22Z,32Z,4Z,15E)-13-hydroxy-19-methoxy-8,18-dimethyl-11,17-dShow More⌵

Mol. Formula:
C44H60N4O12

M.W.:
836.98

Type:
---

AlogP:
6.96

Polar Surface Area:
206.76

HBA:
15

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5266637

Name:
3-chloro-1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)-5,6-dihydropyriShow More⌵

Mol. Formula:
C18H19ClN2O5

M.W.:
378.81

Type:
---

AlogP:
2.70

Polar Surface Area:
70.00

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5266621

Name:
3,5-bis(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole

Mol. Formula:
C21H25NO7

M.W.:
403.43

Type:
---

AlogP:
3.60

Polar Surface Area:
76.97

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5266528

Name:
Trienomycin I

Mol. Formula:
C28H37NO6

M.W.:
483.61

Type:
---

AlogP:
4.62

Polar Surface Area:
105.09

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5266414

Name:
1'-benzyl-4,9-dihydrospiro[benzo[b]furo[3,4-e][1,4]diazepine-10,3'-indolineShow More⌵

Mol. Formula:
C25H19N3O3

M.W.:
409.44

Type:
---

AlogP:
3.78

Polar Surface Area:
70.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS