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ALA4754749 Name:
(10H-Phenoxazin-10-yl)(4-(3-guanidinopropoxy))benz
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Mol. Formula:
C25H23F3N4O5
M.W.:
516.48
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
103.17
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4794579 Name:
(10H-Phenoxazin-10-yl)(4-(3-(pyrrolidin-1-yl)propo
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Mol. Formula:
C26H26N2O3
M.W.:
414.51
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4794057 Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-mo
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Mol. Formula:
C28H30N2O3
M.W.:
442.56
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4791782 Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-(d
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Mol. Formula:
C26H28N2O2
M.W.:
400.52
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
32.78
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4800369 Name:
4-(3-(diaminomethyleneamino)propoxy)-N-(2-(4-fluor
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Mol. Formula:
C23H24ClFN4O3
M.W.:
458.92
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
111.96
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4764424 Name:
4-(3-(Dimethylamino)propoxy)-N-(2-(2,6-dimethylphe
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Mol. Formula:
C26H30N2O3
M.W.:
418.54
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
50.80
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4781385 Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-(dimethylamino)p
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Mol. Formula:
C26H26N2O2
M.W.:
398.51
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
32.78
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4759180 Name:
N-(2-Phenoxyphenyl)-4-(3-guanidinopropoxy)benzamid
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Mol. Formula:
C25H25F3N4O5
M.W.:
518.49
Type:
Unknown
AlogP:
3.77
Polar Surface Area:
111.96
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4749956 Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-morpholinopropox
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Mol. Formula:
C28H28N2O3
M.W.:
440.54
Type:
Unknown
AlogP:
5.25
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4749090 Name:
(5H-Dibenzo[b,f]azepin-5-yl)(4-(3-(pyrrolidin-1-yl
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Mol. Formula:
C28H28N2O2
M.W.:
424.54
Type:
Unknown
AlogP:
6.01
Polar Surface Area:
32.78
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4742798 Name:
(10H-Phenoxazin-10-yl)(4-(3-(N,N-dimethylamino)pro
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Mol. Formula:
C24H24N2O3
M.W.:
388.47
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
42.01
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4741821 Name:
(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)(4-(3-(p
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Mol. Formula:
C28H30N2O2
M.W.:
426.56
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
32.78
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4741805 Name:
(4-(3-Morpholinopropoxy)phenyl)(10H-phenoxazin-10-
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Mol. Formula:
C26H26N2O4
M.W.:
430.50
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
51.24
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4741422 Name:
4-(3-(N,N-Dimethylamino)propoxy)-N-(2-phenoxypheny
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Mol. Formula:
C24H26N2O3
M.W.:
390.48
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
50.80
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4740547 Name:
4-(3-(N,N-Dimethylamino)propoxy)-N-(2-(4-fluorophe
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Mol. Formula:
C24H25FN2O3
M.W.:
408.47
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
50.80
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4294178 Name:
5-(1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetra
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Mol. Formula:
C25H31N3O2
M.W.:
405.54
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
49.17
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4292697 Name:
4-(1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyltetra
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Mol. Formula:
C26H29N3O2
M.W.:
415.54
Type:
Small molecule
AlogP:
5.87
Polar Surface Area:
60.07
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4292404 Name:
Ziconotide
Mol. Formula:
C102H172N36O32S7
M.W.:
2639.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4291986 Name:
4-(5-(4-chlorophenyl)-3-(2,2,6,6-tetramethyltetrah
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Mol. Formula:
C23H26ClN3O
M.W.:
395.93
Type:
Small molecule
AlogP:
6.04
Polar Surface Area:
39.94
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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