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ALA1160513 Name:
3-[4-(4-Carbamimidoyl-phenylamino)-butyrylamino]-p
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Mol. Formula:
C16H22N4O3
M.W.:
318.38
Type:
Small molecule
AlogP:
1.31
Polar Surface Area:
128.30
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1160511 Name:
(Aminobenzamidino)succinyl analogue
Mol. Formula:
C17H22N4O4
M.W.:
346.39
Type:
Small molecule
AlogP:
0.86
Polar Surface Area:
136.58
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1160510 Name:
3-[5-(4-Carbamimidoyl-phenyl)-pent-4-enoylamino]-p
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Mol. Formula:
C17H21N3O3
M.W.:
315.37
Type:
Small molecule
AlogP:
1.91
Polar Surface Area:
116.27
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1160229 Name:
3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo
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Mol. Formula:
C23H27N7O6
M.W.:
497.51
Type:
Small molecule
AlogP:
-0.68
Polar Surface Area:
206.81
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1160228 Name:
3-(2-{(S)-4-[3-(1H-Benzoimidazol-2-ylamino)-propyl
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Mol. Formula:
C26H29N7O7
M.W.:
551.56
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
194.85
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1160227 Name:
3-[2-((S)-4-{[(1H-Benzoimidazol-2-ylmethyl)-carbam
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Mol. Formula:
C26H27N7O8
M.W.:
565.54
Type:
Small molecule
AlogP:
-0.01
Polar Surface Area:
211.92
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1160226 Name:
2-Benzyloxycarbonylamino-3-(2-{(S)-4-[N'-(4,5-dihy
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Mol. Formula:
C21H26N8O8
M.W.:
518.49
Type:
Small molecule
AlogP:
-2.63
Polar Surface Area:
219.66
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA1160225 Name:
2-Benzyloxycarbonylamino-3-(2-{(S)-2,5-dioxo-4-[3-
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Mol. Formula:
C23H27N7O7
M.W.:
513.51
Type:
Small molecule
AlogP:
0.08
Polar Surface Area:
191.95
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA1160224 Name:
2-Benzyloxycarbonylamino-3-(2-{(S)-4-[3-(4,5-dihyd
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Mol. Formula:
C22H29N7O7
M.W.:
503.52
Type:
Small molecule
AlogP:
-1.27
Polar Surface Area:
190.56
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA1160223 Name:
2-Benzyloxycarbonylamino-3-{2-[(S)-4-(4-guanidino-
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Mol. Formula:
C21H29N7O7
M.W.:
491.51
Type:
Small molecule
AlogP:
-0.94
Polar Surface Area:
216.04
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1160222 Name:
2-Benzyloxycarbonylamino-3-{2-[(S)-4-(2-guanidino-
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Mol. Formula:
C19H25N7O7
M.W.:
463.45
Type:
Small molecule
AlogP:
-1.72
Polar Surface Area:
216.04
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA1160221 Name:
3-{2-[(S)-4-(3-Guanidino-propyl)-2,5-dioxo-imidazo
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Mol. Formula:
C21H29N7O6
M.W.:
475.51
Type:
Small molecule
AlogP:
-1.51
Polar Surface Area:
206.81
HBA:
6
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1160220 Name:
2-Benzyloxycarbonylamino-3-{2-[(S)-4-(3-guanidino-
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Mol. Formula:
C20H27N7O7
M.W.:
477.48
Type:
Small molecule
AlogP:
-1.33
Polar Surface Area:
216.04
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA1160219 Name:
2-(Butane-1-sulfonylamino)-3-{2-[(S)-4-(3-guanidin
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Mol. Formula:
C16H29N7O7S
M.W.:
463.52
Type:
Small molecule
AlogP:
-2.75
Polar Surface Area:
226.38
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA1160217 Name:
2-Benzyloxycarbonylamino-3-[2-((S)-4-guanidinometh
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Mol. Formula:
C18H23N7O7
M.W.:
449.42
Type:
Small molecule
AlogP:
-2.11
Polar Surface Area:
216.04
HBA:
7
HBD:
7
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA1160216 Name:
2-(3-Benzyl-ureido)-3-{2-[(S)-4-(3-guanidino-propy
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Mol. Formula:
C20H28N8O6
M.W.:
476.49
Type:
Small molecule
AlogP:
-1.76
Polar Surface Area:
218.84
HBA:
6
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA1160215 Name:
2-(3-Benzyl-thioureido)-3-{2-[(S)-4-(3-guanidino-p
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Mol. Formula:
C20H28N8O5S
M.W.:
492.56
Type:
Small molecule
AlogP:
-1.18
Polar Surface Area:
202.10
HBA:
6
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4777693 Name:
(S)-4-(2-Carboxy-4-oxoazetidine-1-carboxamidomethy
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Mol. Formula:
C14H14F3N3O6
M.W.:
377.28
Type:
Unknown
AlogP:
0.16
Polar Surface Area:
112.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4764510 Name:
3-(2-(4-Oxo-(o-tolylcarbamoyl)azetidin-2-yl)acetam
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Mol. Formula:
C16H19N3O5
M.W.:
333.34
Type:
Unknown
AlogP:
1.11
Polar Surface Area:
115.81
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4794300 Name:
4-(2-(Carboxymethyl)-4-oxoazetidine-1-carboxamidom
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Mol. Formula:
C15H16F3N3O6
M.W.:
391.30
Type:
Unknown
AlogP:
0.55
Polar Surface Area:
112.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
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