Compounds

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
72.45

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4527813

Name:
Eusiderin B

Mol. Formula:
C20H20O5

M.W.:
340.38

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4472700

Name:
Eusiderin A

Mol. Formula:
C22H26O6

M.W.:
386.44

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
55.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4459510

Name:
(2R,3R)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrobenzo[b][1Show More⌵

Mol. Formula:
C19H22O6

M.W.:
346.38

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
55.38

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4457931

Name:
Eusiderin M

Mol. Formula:
C22H26O7

M.W.:
402.44

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
75.61

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4435223

Name:
Nitidanin

Mol. Formula:
C21H24O8

M.W.:
404.42

Type:
Unknown

AlogP:
2.30

Polar Surface Area:
106.84

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4103491

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)ethyl)-1-((5-methyl-2-(o-tolyl)oxazol-Show More⌵

Mol. Formula:
C27H40N4O2

M.W.:
452.64

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4103240

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((5-methyl-2-(o-tolyl)oxazolShow More⌵

Mol. Formula:
C28H42N4O2

M.W.:
466.67

20 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4102607

Name:
Bis(4-((S)-1-((methoxycarbonyl)-D-valyl)pyrrolidine-2-carboxamido)phenyl)suShow More⌵

Mol. Formula:
C36H48N6O12S

M.W.:
788.88

2 activity values

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
228.08

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4101000

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((2-(3-chlorophenyl)-5-methyShow More⌵

Mol. Formula:
C27H39ClN4O2

M.W.:
487.09

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4098303

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((2-(2,6-difluorophenyl)-5-mShow More⌵

Mol. Formula:
C27H38F2N4O2

M.W.:
488.62

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4098175

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((5-methyl-2-(p-tolyl)oxazolShow More⌵

Mol. Formula:
C28H42N4O2

M.W.:
466.67

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4098131

Name:
N-(3-(4-Isopropylpiperidin-1-yl)propyl)-1-((5-methyl-2-(o-tolyl)-oxazol-4-yShow More⌵

Mol. Formula:
C29H44N4O2

M.W.:
480.70

Type:
Small molecule

AlogP:
5.04

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4098076

Name:
Bis(5-((S)-1-((R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)pyrrolidine-2-cShow More⌵

Mol. Formula:
C44H48N6O12S

M.W.:
884.97

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
228.08

HBA:
12

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4097385

Name:
1-((2-(2-Chloro-6-methylphenyl)-5-methyloxazol-4-yl)methyl)-N-(3-(4-isopropShow More⌵

Mol. Formula:
C29H43ClN4O2

M.W.:
515.14

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4096947

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((2-(4-chlorophenyl)-5-methyShow More⌵

Mol. Formula:
C27H39ClN4O2

M.W.:
487.09

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4096611

Name:
N-(3-(cis-3,5-Dimethylpiperidin-1-yl)propyl)-1-((2-(2,4-dimethylphenyl)-5-mShow More⌵

Mol. Formula:
C29H44N4O2

M.W.:
480.70

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4095739

Name:
N-(2-(Dipropylamino)ethyl)-1-((5-methyl-2-(o-tolyl)oxazol-4-yl)-methyl)pipeShow More⌵

Mol. Formula:
C26H40N4O2

M.W.:
440.63

Type:
Small molecule

AlogP:
4.41

Polar Surface Area:
61.61

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4094860

Name:
Bis(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)suShow More⌵

Mol. Formula:
C36H48N6O12S

M.W.:
788.88

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
228.08

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4093979

Name:
Bis(4-(2-((S)-1-((R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)pyrrolidin-2Show More⌵

Mol. Formula:
C46H46N8O10S

M.W.:
902.99