Compounds

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
187.76

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244862

Name:
(S)-diethyl 2-(4-((2-amino-4-hydroxy-5-methylquinazolin-6-ylamino)methyl)beShow More⌵

Mol. Formula:
C26H31N5O6

M.W.:
509.56

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
165.76

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244861

Name:
(S)-2-(4-((2-amino-4-hydroxyquinazolin-6-ylamino)methyl)benzamido)pentanediShow More⌵

Mol. Formula:
C21H21N5O6

M.W.:
439.43

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
187.76

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244860

Name:
(S)-diethyl 2-(4-((2-amino-4-hydroxyquinazolin-6-ylamino)methyl)benzamido)pShow More⌵

Mol. Formula:
C25H29N5O6

M.W.:
495.54

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
165.76

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244859

Name:
(S)-2-(4-((2,4-diamino-5-methylquinazolin-6-ylamino)methyl)benzamido)pentanShow More⌵

Mol. Formula:
C22H24N6O5

M.W.:
452.47

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
193.55

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244858

Name:
(S)-diethyl 2-(4-((2,4-diamino-5-methylquinazolin-6-ylamino)methyl)benzamidShow More⌵

Mol. Formula:
C26H32N6O5

M.W.:
508.58

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244857

Name:
(S)-diethyl 2-(4-((2,4-diaminoquinazolin-6-ylamino)methyl)benzamido)pentaneShow More⌵

Mol. Formula:
C25H30N6O5

M.W.:
494.55

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244856

Name:
(S)-diethyl 2-(4-(((2-amino-4-hydroxyquinazolin-6-yl)methyl)(methyl)amino)bShow More⌵

Mol. Formula:
C26H31N5O6

M.W.:
509.56

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
156.97

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3244855

Name:
(S)-diethyl 2-(4-((2-amino-4-hydroxyquinazolin-6-yl)methylamino)benzamido)pShow More⌵

Mol. Formula:
C25H29N5O6

M.W.:
495.54

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
165.76

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244854

Name:
N10-formyl 5,8-deazaAminopterin

Mol. Formula:
C22H22N6O6

M.W.:
466.45

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
201.83

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3244853

Name:
(S)-2-(4-((2,4-diamino-5-chloroquinazolin-6-yl)methylamino)benzamido)pentanShow More⌵

Mol. Formula:
C21H21ClN6O5

M.W.:
472.89

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
193.55

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3244852

Name:
(S)-diethyl 2-(4-((2,4-diamino-5-chloroquinazolin-6-yl)methylamino)benzamidShow More⌵

Mol. Formula:
C25H29ClN6O5

M.W.:
529.00

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3244851

Name:
5,8-deazaAminopterin

Mol. Formula:
C21H22N6O5

M.W.:
438.44

Type:
Small molecule

AlogP:
1.45

Polar Surface Area:
193.55

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244850

Name:
(S)-diethyl 2-(4-((2,4-diaminoquinazolin-6-yl)methylamino)benzamido)pentaneShow More⌵

Mol. Formula:
C25H30N6O5

M.W.:
494.55

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244849

Name:
(S)-diethyl 2-(4-((2,4-diamino-5-methylquinazolin-6-yl)methylamino)benzamidShow More⌵

Mol. Formula:
C25H30N6O5

M.W.:
494.55

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3244848

Name:
(S)-diethyl 2-(4-((2,4-diamino-5-chloroquinazolin-6-yl)methylamino)benzamidShow More⌵

Mol. Formula:
C24H27ClN6O5

M.W.:
514.97

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3244847

Name:
(S)-2-(4-((2,4-diaminoquinazolin-6-yl)methylamino)benzamido)succinic acid

Mol. Formula:
C20H20N6O5

M.W.:
424.42

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
193.55

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3244846

Name:
(S)-diethyl 2-(4-((2,4-diaminoquinazolin-6-yl)methylamino)benzamido)succinaShow More⌵

Mol. Formula:
C24H28N6O5

M.W.:
480.53

Type:
Small molecule

AlogP:
2.02

Polar Surface Area:
171.55

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3244833

Name:
(S)-2-(4-((2,4-diamino-5-methylquinazolin-6-yl)methylamino)benzamido)pentanShow More⌵

Mol. Formula:
C22H24N6O5

M.W.:
452.47

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
193.55

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3244832

Name:
(S)-diethyl 2-(4-((2,4-diamino-5-methylquinazolin-6-yl)methylamino)benzamidShow More⌵

Mol. Formula:
C26H32N6O5

M.W.:
508.58