Compounds

ALA5271318

Name:
(2S)-N-[(1S)-3-amino-1-[[(1S)-3-amino-1-[[(1S,2S)-1-carbamoyl-2-hydroxy-proShow More⌵

Mol. Formula:
C52H95N23O16S

M.W.:
1330.54

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5269411

Name:
N1,N1'-(naphthalene-1,4-diylbis(methylene))bis(N3-cyclohexylpropane-1,3-diaShow More⌵

Mol. Formula:
C30H48N4

M.W.:
464.74

Type:
---

AlogP:
5.64

Polar Surface Area:
48.12

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5282178

Name:
N1,N1'-([1,1'-biphenyl]-4,4'-diylbis(methylene))bis(N3-cyclohexylpropane-1,Show More⌵

Mol. Formula:
C32H50N4

M.W.:
490.78

Type:
---

AlogP:
6.16

Polar Surface Area:
48.12

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5281510

Name:
6-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-4-amino-1-[[(1S)-1-[[2-Show More⌵

Mol. Formula:
C126H209N47O29

M.W.:
2846.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281447

Name:
N-(3-(ethyl(phenyl)amino)propyl)-6-(1H-imidazol-1-yl)nicotinamide

Mol. Formula:
C20H23N5O

M.W.:
349.44

Type:
---

AlogP:
2.91

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280629

Name:
N,N'-(1,4-phenylenebis(methylene))dicyclohexanamine

Mol. Formula:
C20H32N2

M.W.:
300.49

Type:
---

AlogP:
4.53

Polar Surface Area:
24.06

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280362

Name:
6-[[(1S)-5-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-3-amino-1-[[(1S)-3-Show More⌵

Mol. Formula:
C122H206N46O33S

M.W.:
2877.35

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280204

Name:
6-[[(1R)-5-[[(1R)-2-[[(1R,2R)-1-[[(1R)-1-[(2R)-2-[[(1R)-3-amino-1-[[(1R)-3-Show More⌵

Mol. Formula:
C122H206N46O33S

M.W.:
2877.35

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278507

Name:
(6S,9S,12S,15S,18S)-1-amino-6-((2-((S)-2-((2-(((S)-1-(((S)-1-(((S)-1-amino-Show More⌵

Mol. Formula:
C62H108N24O14

M.W.:
1413.70

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278283

Name:
N-(3-(cyclohexylamino)propyl)-4-(((3-(cyclohexylamino)propyl)amino)methyl)bShow More⌵

Mol. Formula:
C26H44N4O

M.W.:
428.67

Type:
---

AlogP:
4.13

Polar Surface Area:
65.19

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5277914

Name:
N1,N1'-((2-amino-1,4-phenylene)bis(methylene))bis(N3-cyclohexylpropane-1,3-Show More⌵

Mol. Formula:
C26H47N5

M.W.:
429.70

Type:
---

AlogP:
4.07

Polar Surface Area:
74.14

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5277386

Name:
N1,N1'-(pyridine-2,6-diylbis(methylene))bis(N3-cyclohexylpropane-1,3-diaminShow More⌵

Mol. Formula:
C25H45N5

M.W.:
415.67

Type:
---

AlogP:
3.89

Polar Surface Area:
61.01

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5276826

Name:
N1,N1'-((5-nitro-1,3-phenylene)bis(methylene))bis(N3-cyclohexylpropane-1,3-Show More⌵

Mol. Formula:
C26H45N5O2

M.W.:
459.68

Type:
---

AlogP:
4.40

Polar Surface Area:
91.26

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5275975

Name:
N1,N1'-((5-(dimethylamino)-1,3-phenylene)bis(methylene))bis(N3-cyclohexylprShow More⌵

Mol. Formula:
C28H51N5

M.W.:
457.75

Type:
---

AlogP:
4.56

Polar Surface Area:
51.36

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5275177

Name:
N-methyl-1-(2-methyl-1H-imidazol-4-yl)-N-((1-(2-methylphenethyl)piperidin-3Show More⌵

Mol. Formula:
C21H32N4

M.W.:
340.52

Type:
---

AlogP:
3.41

Polar Surface Area:
35.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5273456

Name:
N1,N1',N1"-(benzene-1,3,5-triyltris(methylene))tris(N3-cyclohexylpropane-1,Show More⌵

Mol. Formula:
C36H66N6

M.W.:
582.97

Type:
---

AlogP:
5.89

Polar Surface Area:
72.18

HBA:
6

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5273020

Name:
6-[[(1R)-5-amino-1-[[(1R)-1-[[(1R)-5-amino-1-[[(1R)-4-amino-1-[[(1R)-1-[[2-Show More⌵

Mol. Formula:
C126H209N47O29

M.W.:
2846.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5285076

Name:
N1,N1'-((5-amino-1,3-phenylene)bis(methylene))bis(N3-cyclohexylpropane-1,3-Show More⌵

Mol. Formula:
C26H47N5

M.W.:
429.70

Type:
---

AlogP:
4.07

Polar Surface Area:
74.14

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5284797

Name:
(S)-1-(3-(1,4,8,11-tetraazacyclotetradecan-2-yl)propyl)-1,4,8,11-tetraazacyShow More⌵

Mol. Formula:
C23H52N8

M.W.:
440.73

Type:
---

AlogP:
-0.85

Polar Surface Area:
87.45

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5283630

Name:
N1,N1'-((5-(methylamino)-1,3-phenylene)bis(methylene))bis(N3-cyclohexylpropShow More⌵

Mol. Formula:
C27H49N5

M.W.:
443.72

Type:
---

AlogP:
4.53

Polar Surface Area:
60.15

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS