Type:
UnknownAlogP:
5.82Polar Surface Area:
69.73HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.21DETAILS
ALA3248396Name:
N-Methyl-N'-[4-(5-methylimidazol-4-yl)butyl]thioureaMol. Formula:
C10H18N4SM.W.:
226.35Type:
Small moleculeAlogP:
1.13Polar Surface Area:
52.74HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA3248395Name:
N''-Cyano-N-methyl-N'-[2-(imidazol-4-yl)methylthioethyl]guanidineMol. Formula:
C9H14N6SM.W.:
238.32Type:
Small moleculeAlogP:
0.29Polar Surface Area:
88.89HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.30DETAILS
ALA3248394Name:
N-Methyl-N'-[2-(imidazol-4-yl)methylthioethyl]thioureaMol. Formula:
C8H14N4S2M.W.:
230.36Type:
Small moleculeAlogP:
0.74Polar Surface Area:
52.74HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
0.20Polar Surface Area:
108.19HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS-
Type:
Small moleculeAlogP:
0.70Polar Surface Area:
76.59HBA:
3HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3228809
Name:
1-(2-(diisopropylamino)ethyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-oneMol. Formula:
C18H27N3OM.W.:
301.43Type:
Small moleculeAlogP:
3.13Polar Surface Area:
38.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA3228795
Name:
1-(2-(dimethylamino)ethyl)-5,7-dimethyl-1,8-naphthyridin-2(1H)-oneMol. Formula:
C14H19N3OM.W.:
245.33Type:
Small moleculeAlogP:
1.57Polar Surface Area:
38.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA3228788
Name:
1-(2-(dimethylamino)ethyl)-1,8-naphthyridin-2(1H)-oneMol. Formula:
C12H15N3OM.W.:
217.27Type:
Small moleculeAlogP:
0.96Polar Surface Area:
38.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA2448450
Name:
5-(2-Amino-ethyl)-4-methyl-selenazol-2-ylamine dihydrobromideMol. Formula:
C6H12BrN3SeM.W.:
285.05Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.37Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
7.61Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
3#Rotatable Bonds:
29Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
2.93Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
2.54Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
2.15Polar Surface Area:
212.78HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.11DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
202.55HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
7.06Polar Surface Area:
6.48HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
7.11Polar Surface Area:
6.48HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA1934049
Name:
(S)-1-{[4'-((2-methylpyrrolidin-1-yl)methyl)biphenyl-4-yl]methyl}piperidineMol. Formula:
C24H32N2M.W.:
348.53Type:
Small moleculeAlogP:
5.32Polar Surface Area:
6.48HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS
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