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ALA356696 Name:
(R)-4-(3,4-Dichloro-benzoylamino)-4-{[(isopropyl-phenyl-carbamoyl)-methyl]-Show More⌵
Mol. Formula:
C28H35Cl2N3O5
M.W.:
564.51
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
107.02
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA435235 Name:
(R)-4-{[(Isopropyl-phenyl-carbamoyl)-methyl]-pentyl-carbamoyl}-4-(3-phenyl-Show More⌵
Mol. Formula:
C28H38N4O5
M.W.:
510.64
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
119.05
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA357983 Name:
(R)-4-({[Isopropyl-(4-methoxy-phenyl)-carbamoyl]-methyl}-phenyl-carbamoyl)-Show More⌵
Mol. Formula:
C30H34N4O6
M.W.:
546.62
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
128.28
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA421778 Name:
N-[(Isopropyl-phenyl-carbamoyl)-methyl]-N-phenyl-2-(3-phenyl-ureido)-acetamShow More⌵
Mol. Formula:
C26H28N4O3
M.W.:
444.54
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
81.75
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA146206 Name:
(R)-4-{[(Isopropyl-phenyl-carbamoyl)-methyl]-phenyl-carbamoyl}-4-(3-phenyl-Show More⌵
Mol. Formula:
C29H32N4O5
M.W.:
516.60
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
119.05
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA346160 Name:
(S)-4-({[Isopropyl-(4-methoxy-phenyl)-carbamoyl]-methyl}-phenyl-carbamoyl)-Show More⌵
Mol. Formula:
C30H34N4O6
M.W.:
546.62
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
128.28
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA405243 Name:
D-Tyr-Gly-[(Nle28,31,Bpa29)CCK-26-33]
Mol. Formula:
C76H87N11O18
M.W.:
1442.59
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA438912 Name:
D-Tyr-Gly-[(Nle28,31,Bpa33)CCK-26-33]
Mol. Formula:
C69H81N11O18
M.W.:
1352.47
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA410965 Name:
D-Tyr-Gly-[(Nle28,31,Bpa29,33)CCK-26-33]
Mol. Formula:
C83H91N11O19
M.W.:
1546.70
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA290143 Name:
(S)-3-[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-Show More⌵
Mol. Formula:
C43H53N7O9S
M.W.:
844.00
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
242.12
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA290142 Name:
(S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C43H53N7O9S
M.W.:
844.00
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
242.12
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA290034 Name:
(S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C44H55N7O9S
M.W.:
858.03
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
233.33
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA432293 Name:
(S)-3-({(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C46H57N7O10
M.W.:
868.00
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
253.56
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA289744 Name:
(S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C44H54N8O9
M.W.:
838.96
Type:
Small molecule
AlogP:
3.00
Polar Surface Area:
255.01
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA411466 Name:
(S)-3-{(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-Show More⌵
Mol. Formula:
C45H55N7O10
M.W.:
853.97
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
262.35
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA289284 Name:
(S)-3-{[(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C45H56N8O9
M.W.:
852.99
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
246.22
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA290936 Name:
(S)-3-({(S)-2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]Show More⌵
Mol. Formula:
C45H55N7O10
M.W.:
853.97
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
262.35
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
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