ALA4294511Name:
(E)-N-(4-methoxyphenyl)-2-(4-nitrobenzylidene)hydrazine-carbothioamideMol. Formula:
C15H14N4O3SM.W.:
330.37Type:
Small moleculeAlogP:
2.92Polar Surface Area:
88.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA4294257Name:
(E)-2-(naphthalen-2-ylmethylene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C19H17N3SM.W.:
319.43Type:
Small moleculeAlogP:
4.47Polar Surface Area:
36.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS
ALA4294110Name:
(E)-2-benzylidene-N-(naphthalen-1-yl)hydrazine-carbothioamideMol. Formula:
C18H15N3SM.W.:
305.41Type:
Small moleculeAlogP:
4.16Polar Surface Area:
36.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA4293848Name:
(E)-2-(4-hydroxy-3-methoxybenzylidene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C16H17N3O2SM.W.:
315.40Type:
Small moleculeAlogP:
3.03Polar Surface Area:
65.88HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.46DETAILS
ALA4293122Name:
(E)-2-(3,4-dichlorobenzylidene)-N-(4-methoxyphenyl)hydrazinecarbothioamideMol. Formula:
C15H13Cl2N3OSM.W.:
354.26Type:
Small moleculeAlogP:
4.32Polar Surface Area:
45.65HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS- ALA4292578
Name:
(E)-2-(4-methylbenzylidene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C16H17N3SM.W.:
283.40Type:
Small moleculeAlogP:
3.62Polar Surface Area:
36.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4292242
Name:
(E)-N-(naphthalen-1-yl)-2-(4-nitrobenzylidene)hydrazine-carbothioamideMol. Formula:
C18H14N4O2SM.W.:
350.40Type:
Small moleculeAlogP:
4.07Polar Surface Area:
79.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
4.68Polar Surface Area:
45.65HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
65.88HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA4291102
Name:
(E)-2-(4-methoxybenzylidene)-N-(4-methoxyphenyl)hydra-zinecarbothioamideMol. Formula:
C16H17N3O2SM.W.:
315.40Type:
Small moleculeAlogP:
3.02Polar Surface Area:
54.88HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4291075
Name:
(E)-2-(4-chlorobenzylidene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C15H14ClN3SM.W.:
303.82Type:
Small moleculeAlogP:
3.97Polar Surface Area:
36.42HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4290703
Name:
(E)-2-(4-(dimethylamino)benzylidene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C17H20N4SM.W.:
312.44Type:
Small moleculeAlogP:
3.38Polar Surface Area:
39.66HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4290444
Name:
(E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C16H15N3O2SM.W.:
313.38Type:
Small moleculeAlogP:
3.04Polar Surface Area:
54.88HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4289736
Name:
(E)-2-(3,4-dimethoxybenzylidene)-N-(4-methoxyphenyl)hydrazinecarbothioamideMol. Formula:
C17H19N3O3SM.W.:
345.42Type:
Small moleculeAlogP:
3.03Polar Surface Area:
64.11HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.23Polar Surface Area:
39.66HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4288832
Name:
(E)-2-(4-methoxybenzylidene)-N-(naphthalen-1-yl)hydrazine-carbothioamideMol. Formula:
C19H17N3OSM.W.:
335.43Type:
Small moleculeAlogP:
4.17Polar Surface Area:
45.65HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
7.09Polar Surface Area:
49.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
3.04Polar Surface Area:
73.34HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4287737
Name:
(E)-N-(naphthalen-1-yl)-2-(naphthalen-1-ylmethylene)hydrazinecarbothioamideMol. Formula:
C22H17N3SM.W.:
355.47Type:
Small moleculeAlogP:
5.31Polar Surface Area:
36.42HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.30DETAILS - ALA4287446
Name:
(E)-2-(2-nitrobenzylidene)-N-p-tolylhydrazinecarbothioamideMol. Formula:
C15H14N4O2SM.W.:
314.37Type:
Small moleculeAlogP:
3.22Polar Surface Area:
79.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
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