Compounds

ALA5270363

Name:

Mol. Formula:
C91H123Cl2N11O35

M.W.:
2001.93

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5268243

Name:
2-(((((2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-((3,5,13-trimetShow More⌵

Mol. Formula:
C44H71N4O23P

M.W.:
1055.03

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282723

Name:
Teixobactin

Mol. Formula:
C58H95N15O15

M.W.:
1242.49

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5282283

Name:
Pulvomycin

Mol. Formula:
C47H66O13

M.W.:
839.03

Type:
---

AlogP:
4.82

Polar Surface Area:
198.51

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5281514

Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-((E)-(2,5,7-triamino-3-((E)-(4-(trifluoromShow More⌵

Mol. Formula:
C25H22F3N13O2S

M.W.:
625.60

Type:
---

AlogP:
5.53

Polar Surface Area:
229.64

HBA:
14

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5281038

Name:
4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)-2H-chromen-2-one

Mol. Formula:
C18H13N3O3

M.W.:
319.32

Type:
---

AlogP:
2.95

Polar Surface Area:
70.15

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5280760

Name:
(4R,E)-3-(2-((1R,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxodShow More⌵

Mol. Formula:
C29H33NO5

M.W.:
475.59

Type:
---

AlogP:
4.81

Polar Surface Area:
85.72

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5280379

Name:
4-((1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)-2H-chromen-2-one

Mol. Formula:
C18H12FN3O3

M.W.:
337.31

Type:
---

AlogP:
3.09

Polar Surface Area:
70.15

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5279606

Name:
4-((1-(2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)methoxy)-2H-chromen-2-one

Mol. Formula:
C19H15N3O4

M.W.:
349.35

Type:
---

AlogP:
2.96

Polar Surface Area:
79.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5279506

Name:
Merochlorin B

Mol. Formula:
C25H29ClO4

M.W.:
428.96

Type:
---

AlogP:
6.26

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5279209

Name:

Mol. Formula:
C79H85Cl3N10O23

M.W.:
1648.95

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5275494

Name:
N-(5-nitrobenzo[d]thiazol-2-yl)-2-((4-phenyl-5-((quinolin-8-yloxy)methyl)-4Show More⌵

Mol. Formula:
C27H19N7O4S2

M.W.:
569.63

Type:
---

AlogP:
5.64

Polar Surface Area:
137.96

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5274663

Name:
N-(5-fluorobenzo[d]thiazol-2-yl)-2-((4-phenyl-5-((quinolin-8-yloxy)methyl)-Show More⌵

Mol. Formula:
C27H19FN6O2S2

M.W.:
542.62

Type:
---

AlogP:
5.87

Polar Surface Area:
94.82

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5274522

Name:
(7S,11S)-36-(4-(4-((R)-2-carbamoylpyrrolidine-1-carbonyl)-4,5-dihydrooxazolShow More⌵

Mol. Formula:
C54H51N15O10S6

M.W.:
1262.50

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5274397

Name:

Mol. Formula:
C135H190Cl2N28O39S2

M.W.:
2964.20

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273821

Name:
N-(4,6-dimethylpyrimidin-2-yl)-4-((E)-(2,5,7-triamino-3-((E)-(4-fluorophenyShow More⌵

Mol. Formula:
C24H22FN13O2S

M.W.:
575.59

Type:
---

AlogP:
4.65

Polar Surface Area:
229.64

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5273661

Name:

Mol. Formula:
C81H103Cl2N11O35

M.W.:
1861.66

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273089

Name:
Kirromycin

Mol. Formula:
C44H62N2O11

M.W.:
794.98

Type:
---

AlogP:
3.74

Polar Surface Area:
218.87

HBA:
11

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA5272835

Name:
4-((1-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazol-4-yl)methoxy)-2H-chromen-Show More⌵

Mol. Formula:
C19H14FN3O4

M.W.:
367.34

Type:
---

AlogP:
3.10

Polar Surface Area:
79.38

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5286925

Name:
(4R,E)-3-(2-((1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-metShow More⌵

Mol. Formula:
C29H35NO5

M.W.:
477.60

Type:
---

AlogP:
4.60

Polar Surface Area:
88.88

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS