Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1275770

Name:
4-Tricyclo[4.3.1.0]decanamime

Cas Number:
1149588-60-2

Mol. Formula:
C10H17N

M.W.:
151.25

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA1275698

Name:
1-(2-Aminoethyl)tricyclo[3.3.1.1]decan-2-ol

Mol. Formula:
C12H21NO

M.W.:
195.31

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA1275697

Name:
4-(2-Aminoethyl)tricyclo[4.3.1.0]decan-4-ol

Mol. Formula:
C12H21NO

M.W.:
195.31

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA1275696

Name:
(2-Aminomethyl-adamantan-2-yl)-meth anol

Mol. Formula:
C12H21NO

M.W.:
195.31

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.70

DETAILS

ALA1275695

Name:
2-amino-2-adamantanemethanol

Cas Number:
55213-85-9

Mol. Formula:
C11H19NO

M.W.:
181.28

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA1084463

Name:
(S)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-1
Show More⌵

Mol. Formula:
C44H84N12O6

M.W.:
877.23

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
303.60

HBA:
8

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
35

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA1084462

Name:
(S)-N-((S)-1-((S)-1-((S)-1-amino-1-oxopropan-2-yla
Show More⌵

Mol. Formula:
C58H109N15O10S

M.W.:
1208.67

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084461

Name:
(S)-1-((S)-3-(1H-imidazol-5-yl)-2-((S)-3-methyl-2-
Show More⌵

Mol. Formula:
C58H99N13O10

M.W.:
1138.51

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084460

Name:
N-[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[
Show More⌵

Mol. Formula:
C55H100N14O9S

M.W.:
1133.56

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084041

Name:
(S)-N-((6S,9S,12S,15S)-1-amino-15-carbamoyl-9-((R)
Show More⌵

Mol. Formula:
C58H109N15O10S

M.W.:
1208.67

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084459

Name:
(S)-2-((3S,6S,9S,12S)-12-((1H-imidazol-5-yl)methyl
Show More⌵

Mol. Formula:
C93H162N28O19S

M.W.:
2008.56

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084457

Name:
(S)-1-((S)-2-((S)-2-((S)-1-((6S,9S,12S,15S,18S,21S
Show More⌵

Mol. Formula:
C91H159N25O20S

M.W.:
1955.50

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084197

Name:
(S)-N1-((5S,8S,11S,14S,17S,20S,23S,26S)-11,14-bis(
Show More⌵

Mol. Formula:
C93H161N29O19S

M.W.:
2021.56

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084196

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

Mol. Formula:
C93H162N28O18

M.W.:
1960.50

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1084195

Name:
(S)-N-((S)-1-((S)-5-amino-1-((S)-2-carbamoylpyrrol
Show More⌵

Mol. Formula:
C93H160N28O18S

M.W.:
1990.55