Compounds

ALA5272710

Name:
ethyl (E)-2-((S)-1,2-dihydroxyethyl)-4-((1R,5R,6R,8aS)-6-hydroxy-5-(hydroxyShow More⌵

Mol. Formula:
C22H36O6

M.W.:
396.52

Type:
---

AlogP:
1.96

Polar Surface Area:
107.22

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272673

Name:
1-(5-amino-4-fluoro-2-(hydroxymethyl)phenyl)-8-chloro-6-fluoro-5-methyl-7-(Show More⌵

Mol. Formula:
C22H21ClF2N4O4

M.W.:
478.88

Type:
---

AlogP:
2.41

Polar Surface Area:
120.82

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5272598

Name:
1-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-oxopropyl morpholine-4-carbodShow More⌵

Mol. Formula:
C23H27NO5S2

M.W.:
461.61

Type:
---

AlogP:
4.38

Polar Surface Area:
57.23

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5272091

Name:
1-allyl-3-[(Z)-(4,6-dihydroxy-3-oxo-benzofuran-2-ylidene)methyl]-6-methyl-qShow More⌵

Mol. Formula:
C22H17NO5

M.W.:
375.38

Type:
---

AlogP:
3.52

Polar Surface Area:
88.76

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5271499

Name:
Telavancin

Mol. Formula:
C79H104Cl2N11O28P

M.W.:
1757.63

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270969

Name:
3-(4-methylphenyl)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl morpholine-4-carbShow More⌵

Mol. Formula:
C24H29NO5S2

M.W.:
475.63

Type:
---

AlogP:
4.69

Polar Surface Area:
57.23

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270250

Name:
1-cyclopropyl-7-(4-(4-(((1S,2S,3R,5S,6R)-3,5-diamino-2-(((2S,3R,4S,5S,6R)-4Show More⌵

Mol. Formula:
C39H61FN8O12

M.W.:
852.96

Type:
---

AlogP:
-3.18

Polar Surface Area:
322.95

HBA:
19

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5270182

Name:
(2S,5R,6R)-6-[(2R)-2-(3-{[1,7-bis({[2,3-bis(acetyloxy)phenyl]formamido})-4-Show More⌵

Mol. Formula:
C63H71N7O21S

M.W.:
1294.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269207

Name:
(2S,5R,6R)-6-[(2R)-2-(3-{[1,7-bis({[2,3-bis(acetyloxy)phenyl]formamido})-4-Show More⌵

Mol. Formula:
C63H71N7O22S

M.W.:
1310.35

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268920

Name:
(7S,11S)-4-(((4R,5R)-5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-4-hydroxydihShow More⌵

Mol. Formula:
C38H48N8O12S

M.W.:
840.91

Type:
---

AlogP:
-0.82

Polar Surface Area:
288.30

HBA:
13

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5268885

Name:
1-(5-amino-4-fluoro-2-(hydroxymethyl)phenyl)-8-chloro-6-fluoro-7-(3-(methylShow More⌵

Mol. Formula:
C21H19ClF2N4O4

M.W.:
464.86

Type:
---

AlogP:
2.10

Polar Surface Area:
120.82

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5268873

Name:
7-(4-methoxyphenyl)-2-(phenylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Mol. Formula:
C20H17N5O2

M.W.:
359.39

Type:
---

AlogP:
3.25

Polar Surface Area:
94.54

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5268807

Name:
4-(2-(4-((3-methoxy-4-(5-(3-methoxyphenyl)-3-oxopenta-1,4-dien-1-yl)benzyl)Show More⌵

Mol. Formula:
C33H29N3O7

M.W.:
579.61

Type:
---

AlogP:
5.36

Polar Surface Area:
114.91

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5268353

Name:
2-(4-((1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)hydraziShow More⌵

Mol. Formula:
C17H15FN6O2

M.W.:
354.35

Type:
---

AlogP:
1.99

Polar Surface Area:
107.42

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5268196

Name:
N'-[(E)-(2-hydroxyphenyl)[(1E)-2-phenyldiazen-1-yl]methylidene]-3,4-dimethyShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
---

AlogP:
4.21

Polar Surface Area:
102.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5267971

Name:
(2S)-2-[[(1S)-2-[[(1S,2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-meShow More⌵

Mol. Formula:
C44H51N9O11

M.W.:
881.94

Type:
---

AlogP:
0.00

Polar Surface Area:
303.30

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5267860

Name:
Thiostrepton

Mol. Formula:
C72H87N19O17S5

M.W.:
1650.94

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282712

Name:
(6S,13S)-13,14-diamino-9-(((4R,5R)-5-(2,4-dioxotetrahydropyrimidin-1(2H)-ylShow More⌵

Mol. Formula:
C38H51N9O12S

M.W.:
857.94

Type:
---

AlogP:
-1.64

Polar Surface Area:
328.31

HBA:
14

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5282668

Name:
(7S,11S)-4-(((4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxydShow More⌵

Mol. Formula:
C39H48N8O12S

M.W.:
852.92

Type:
---

AlogP:
-0.48

Polar Surface Area:
293.75

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5282396

Name:
1-(4-methoxyphenyl)-3-[4-[[(4S)-2-oxooxazolidin-4-yl]methyl]phenyl]thiourea

Mol. Formula:
C18H19N3O3S

M.W.:
357.44

Type:
---

AlogP:
3.16

Polar Surface Area:
71.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS