Type:
Small moleculeAlogP:
3.33Polar Surface Area:
75.35HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
52.57HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.77DETAILS
ALA3087009Name:
2,8-difluoroindolo[2,1-b]quinazoline-6,12-dioneMol. Formula:
C15H6F2N2O2M.W.:
284.22Type:
Small moleculeAlogP:
2.21Polar Surface Area:
51.96HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
0.03Polar Surface Area:
357.74HBA:
20HBD:
9#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
6.97Polar Surface Area:
116.20HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.18DETAILS-
Type:
Small moleculeAlogP:
4.50Polar Surface Area:
54.60HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2103835
Name:
Monomethylauristatin ECas Number:
474645-27-7Mol. Formula:
C39H67N5O7M.W.:
717.99Type:
Small moleculeAlogP:
3.53Polar Surface Area:
149.54HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
-0.46Polar Surface Area:
377.97HBA:
21HBD:
10#RO5 Violations:
3#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
3.58Polar Surface Area:
36.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.64Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
4.53Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
4.01Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
7.48Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.14Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.27Polar Surface Area:
28.80HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
15.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
7.82Polar Surface Area:
123.53HBA:
11HBD:
2#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
2.22Polar Surface Area:
159.92HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
119.28HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
119.28HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS
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