Type:
---AlogP:
1.95Polar Surface Area:
49.39HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS
Type:
UnknownAlogP:
2.89Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.61DETAILS
Type:
UnknownAlogP:
2.88Polar Surface Area:
43.09HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.78DETAILS
ALA4589063Name:
(2Z)-3-(2-Chloro-4-methylphenyl)-2-methylacrylonitrileMol. Formula:
C11H10ClNM.W.:
191.66Type:
UnknownAlogP:
3.58Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA4587355Name:
3-(2-Chloro-4-methylphenyl)-2-methylacrylonitrileMol. Formula:
C11H10ClNM.W.:
191.66Type:
UnknownAlogP:
3.58Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS-
Type:
UnknownAlogP:
3.92Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
2.59Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS - ALA4574880
Name:
(2Z)-1-(2-(1H-Tetrazol-5-yl)prop-1-enyl)-3-bromo-5-methylpyridin-2(1H)-oneMol. Formula:
C10H10BrN5OM.W.:
296.13Type:
UnknownAlogP:
1.45Polar Surface Area:
76.46HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
4.08Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
2.89Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.61DETAILS -
Type:
UnknownAlogP:
2.50Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.84DETAILS - ALA4560044
Name:
[1-(2,4-Dichlorophenyl)ethylidene]malononitrileMol. Formula:
C11H6Cl2N2M.W.:
237.09Type:
UnknownAlogP:
3.81Polar Surface Area:
47.58HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4555949
Name:
5-[1-(3,5-Dimethylphenyl)prop-1-en-2-yl]-1H-tetrazoleMol. Formula:
C12H14N4M.W.:
214.27Type:
UnknownAlogP:
2.38Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA4555553
Name:
(R)-(+)-2-(4-Chloro-2-methylphenoxy)propanenitrileMol. Formula:
C10H10ClNOM.W.:
195.65Type:
UnknownAlogP:
2.94Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.94Polar Surface Area:
33.02HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA4543496
Name:
(2Z)-2-Cyano-3-(2,4-dichlorophenyl)-2-butenamideMol. Formula:
C11H8Cl2N2OM.W.:
255.10Type:
UnknownAlogP:
2.78Polar Surface Area:
66.88HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4541411
Name:
(2E)-2-Cyano-3-(2,4-dichlorophenyl)-2-butenamideMol. Formula:
C11H8Cl2N2OM.W.:
255.10Type:
UnknownAlogP:
2.78Polar Surface Area:
66.88HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4541102
Name:
(2E)-3-(2,4-Dichlorophenyl)-2-methylacrylonitrileMol. Formula:
C10H7Cl2NM.W.:
212.08Type:
UnknownAlogP:
3.92Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
3.58Polar Surface Area:
23.79HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4534572
Name:
rac-5-(1-(2,4-Dichlorophenoxy)ethyl)-1H-tetrazoleMol. Formula:
C9H8Cl2N4OM.W.:
259.10Type:
UnknownAlogP:
2.65Polar Surface Area:
63.69HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS
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