ALA4542313Name:
(2E)-2,3-diphenyl-N-(quinolin-2-yl)prop-2-enamide hydrochlorideMol. Formula:
C24H19ClN2OM.W.:
386.88Type:
UnknownAlogP:
5.41Polar Surface Area:
41.99HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA4453464Name:
N-(cyclohepta[b]pyrrol-2-yl)-2,3-diphenylacrylamideMol. Formula:
C24H18N2OM.W.:
350.42Type:
UnknownAlogP:
5.37Polar Surface Area:
41.99HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
Small moleculeAlogP:
2.49Polar Surface Area:
50.41HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
Small moleculeAlogP:
5.89Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
6.60Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.16DETAILS- ALA2349296
Name:
2-Methyl-4-[4'-(1H-tetrazol-5-yl)-biphenyl-4-yl methylsulfanyl]-quinazolineMol. Formula:
C23H18N6SM.W.:
410.51Type:
Small moleculeAlogP:
5.08Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2349295
Name:
2-Methyl-4-[3'-(1H-tetrazol-5-yl)-biphenyl-4-yl methylsulfanyl]-quinazolineMol. Formula:
C23H18N6SM.W.:
410.51Type:
Small moleculeAlogP:
5.08Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2349294
Name:
4-[4'-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethyl sulfanyl]-quinazolineMol. Formula:
C22H16N6SM.W.:
396.48Type:
Small moleculeAlogP:
4.77Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2349293
Name:
4-[3'-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethyl sulfanyl]-quinazolineMol. Formula:
C22H16N6SM.W.:
396.48Type:
Small moleculeAlogP:
4.77Polar Surface Area:
80.24HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
7.91Polar Surface Area:
134.70HBA:
10HBD:
2#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
7.07Polar Surface Area:
89.47HBA:
8HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
6.97Polar Surface Area:
123.38HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
7.20Polar Surface Area:
80.24HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
7.06Polar Surface Area:
80.24HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
6.50Polar Surface Area:
52.08HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA2349286
Name:
methyl 4'-((2-isopropylquinazolin-4-ylthio)methyl)biphenyl-3-carboxylateMol. Formula:
C26H24N2O2SM.W.:
428.56Type:
Small moleculeAlogP:
6.50Polar Surface Area:
52.08HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.50Polar Surface Area:
52.08HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
7.66Polar Surface Area:
92.71HBA:
7HBD:
---#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
7.89Polar Surface Area:
49.57HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA2349282
Name:
4'-(2-Benzylsulfanyl-quinazolin-4-ylsulfanylmethyl)-biphenyl-2-carbonitrileMol. Formula:
C29H21N3S2M.W.:
475.64Type:
Small moleculeAlogP:
7.75Polar Surface Area:
49.57HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.14DETAILS
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