Compounds

Type:
Small molecule

AlogP:
-1.14

Polar Surface Area:
103.52

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3414809

Name:
(3S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-42-((1H-indol-3-yl)methyl)Show More⌵

Mol. Formula:
C102H154N30O20S

M.W.:
2152.61

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3414808

Name:
(S)-3-(3-(1-((2-Acetamidoethyl)thio)-1-oxo-3-phenylpropan-2-yl)ureido)-5-(4Show More⌵

Mol. Formula:
C26H27N3O6S2

M.W.:
541.65

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
133.83

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3414807

Name:
(S)-3-(3-(1-Carboxy-2-(1H-imidazol-4-yl)ethyl)ureido)-5-(4-methoxyphenyl)thShow More⌵

Mol. Formula:
C19H18N4O6S

M.W.:
430.44

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
153.64

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3414806

Name:
3-(3-((S)-1-Carboxy-2-phenylethyl)ureido)-5-(4'-(hydroxy(2-nitrophenyl)methShow More⌵

Mol. Formula:
C34H27N3O8S

M.W.:
637.67

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
179.10

HBA:
7

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3414805

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-5-(4'-(hydroxymethyl)-[1,1'-bipheShow More⌵

Mol. Formula:
C28H24N2O6S

M.W.:
516.58

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
135.96

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3414804

Name:
(S)-5-([1,1'-Biphenyl]-4-yl)-3-(3-(1-carboxy-2-phenylethyl)ureido)thiopheneShow More⌵

Mol. Formula:
C27H22N2O5S

M.W.:
486.55

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3414803

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-5-(4'-(hydroxymethyl)-[1,1'-bipheShow More⌵

Mol. Formula:
C28H24N2O6S

M.W.:
516.58

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
135.96

HBA:
5

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3414802

Name:
(S)-5-([1,1'-Biphenyl]-3-yl)-3-(3-(1-carboxy-2-phenylethyl)ureido)thiopheneShow More⌵

Mol. Formula:
C27H22N2O5S

M.W.:
486.55

Type:
Small molecule

AlogP:
5.60

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3414801

Name:
((5-(4-Methoxyphenyl)thiophen-3-yl)carbamoyl)-L-phenylalanine

Mol. Formula:
C21H20N2O4S

M.W.:
396.47

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3414800

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-7-methoxy-4,5-dihydronaphtho[1,2-Show More⌵

Mol. Formula:
C24H24N2O6S

M.W.:
468.53

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
124.96

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3414799

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-5-(4-methoxy-2-methylphenyl)thiopShow More⌵

Mol. Formula:
C23H22N2O6S

M.W.:
454.50

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
124.96

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3414798

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)thiophene-2-carboxylic acid

Mol. Formula:
C15H14N2O5S

M.W.:
334.35

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3414797

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-5-phenylthiophene-2-carboxylic acShow More⌵

Mol. Formula:
C21H18N2O5S

M.W.:
410.45

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
115.73

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3414796

Name:
(S)-3-(3-(1-Carboxy-2-phenylethyl)ureido)-5-(4-hydroxyphenyl)thiophene-2-caShow More⌵

Mol. Formula:
C21H18N2O6S

M.W.:
426.45

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
135.96

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3414795

Name:
((2-Carboxy-5-(4-methoxyphenyl)thiophen-3-yl)carbamoyl)-L-glutamic acid

Mol. Formula:
C18H18N2O8S

M.W.:
422.42

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
162.26

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3414794

Name:
(S)-3-(3-(1-Carboxy-2-(1H-indol-3-yl)ethyl)ureido)-5-(4-methoxyphenyl)thiopShow More⌵

Mol. Formula:
C24H21N3O6S

M.W.:
479.51

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
140.75

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3414793

Name:
(S)-3-(3-(3-Amino-1-carboxy-3-oxopropyl)ureido)-5-(4-methoxyphenyl)thiophenShow More⌵

Mol. Formula:
C17H17N3O7S

M.W.:
407.40

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
168.05

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3414792

Name:
(S)-3-(3-(1-Carboxy-2-hydroxyethyl)ureido)-5-(4-methoxyphenyl)thiophene-2-cShow More⌵

Mol. Formula:
C16H16N2O7S

M.W.:
380.38

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
145.19

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3414791

Name:
(S)-3-(3-(1-Carboxy-2-methylpropyl)ureido)-5-(4-methoxyphenyl)thiophene-2-cShow More⌵

Mol. Formula:
C18H20N2O6S

M.W.:
392.43