Type:
---AlogP:
5.03Polar Surface Area:
123.92HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
4.60Polar Surface Area:
154.42HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
6.98Polar Surface Area:
123.92HBA:
4HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
Small moleculeAlogP:
1.36Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA4099652
Name:
2-Methyl-4-nitro-2H-benzotriazoleCas Number:
89795-90-4Mol. Formula:
C7H6N4O2M.W.:
178.15Type:
Small moleculeAlogP:
0.88Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.88Polar Surface Area:
107.99HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4084826
Name:
1-Methyl-7-nitro-1H-benzotriazoleCas Number:
14209-07-5Mol. Formula:
C7H6N4O2M.W.:
178.15Type:
Small moleculeAlogP:
0.88Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4073608
Name:
1-Methyl-4-nitro-1H-benzotriazoleCas Number:
27799-86-6Mol. Formula:
C7H6N4O2M.W.:
178.15Type:
Small moleculeAlogP:
0.88Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
1.97Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4077194
Name:
(4-Nitro-1H-benzotriazol-1-yl)(phenyl)methanoneMol. Formula:
C13H8N4O3M.W.:
268.23Type:
Small moleculeAlogP:
2.03Polar Surface Area:
90.92HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
1.36Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.39Polar Surface Area:
73.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
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