Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cn(C(F)(F)CO)nn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 580.24 |
Fraction sp3: | 0.3 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.24 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-305f6ec3-48
0.770
LON-WEI-2e27a2e5-2
0.700
ALP-POS-305f6ec3-46
0.692
PET-UNK-48ab5cd7-3
0.692
ALP-POS-95f71980-17
0.689
ALP-POS-305f6ec3-38
0.689
ALP-POS-02c6a514-50
0.686
ALP-POS-95f71980-7
0.686
ALP-POS-95f71980-25
0.686
ALP-POS-305f6ec3-14
0.686
ALP-POS-95f71980-4
0.683
ALP-POS-02c6a514-11
0.676
ALP-POS-305f6ec3-54
0.676
ALP-POS-305f6ec3-50
0.676
ALP-POS-305f6ec3-21
0.675
ALP-POS-95f71980-24
0.670
MAT-POS-f2460aef-3
0.670
ALP-POS-305f6ec3-11
0.667
ALP-POS-95f71980-23
0.664
ALP-POS-305f6ec3-2
0.664
ALP-POS-305f6ec3-56
0.664
MAT-POS-f2460aef-2
0.663
ALP-POS-02c6a514-26
0.663
MAT-POS-f2460aef-1
0.663
ALP-POS-95f71980-21
0.663
LON-WEI-2e27a2e5-1
0.663
ALP-POS-305f6ec3-27
0.660
ALP-POS-305f6ec3-37
0.658
ALP-POS-305f6ec3-12
0.655
MAT-POS-f2460aef-5
0.654
PET-UNK-48ab5cd7-1
0.654
ALP-POS-02c6a514-45
0.652
ALP-POS-305f6ec3-57
0.651
ALP-POS-305f6ec3-28
0.651
ALP-POS-305f6ec3-33
0.651
ALP-POS-305f6ec3-49
0.651
ALP-POS-02c6a514-22
0.645
LON-WEI-adc59df6-47
0.644
LON-POS-586a7c45-1
0.644
PAU-WEI-5b8d5051-1
0.644
PET-UNK-7d68125a-3
0.642
ALP-POS-95f71980-2
0.642
MAT-POS-f2460aef-4
0.639
ALP-POS-02c6a514-25
0.639
ALP-POS-305f6ec3-55
0.639
ALP-POS-95f71980-22
0.639
ALP-POS-305f6ec3-43
0.636
ALP-POS-02c6a514-52
0.636
ALP-POS-305f6ec3-59
0.636
ALP-POS-02c6a514-12
0.636
ALP-POS-02c6a514-33
0.633
ALP-POS-95f71980-29
0.633
ALP-POS-95f71980-6
0.633
PET-UNK-7d68125a-4
0.632
ALP-POS-95f71980-18
0.631
PET-UNK-48ab5cd7-2
0.630
ALP-POS-305f6ec3-41
0.630
ALP-POS-305f6ec3-44
0.630
PAU-WEI-5b8d5051-2
0.629
ALP-POS-305f6ec3-40
0.627
ALP-POS-305f6ec3-52
0.627
PET-UNK-7d68125a-2
0.626
ALP-POS-305f6ec3-4
0.625
ALP-POS-02c6a514-6
0.624
ALP-POS-02c6a514-46
0.624
ALP-POS-02c6a514-49
0.624
ALP-POS-305f6ec3-6
0.624
ALP-POS-02c6a514-40
0.616
ALP-POS-305f6ec3-19
0.616
ALP-POS-305f6ec3-9
0.613
ALP-UNI-fe744232-18
0.613
ALP-POS-305f6ec3-3
0.613
ALP-POS-305f6ec3-39
0.613
ALP-POS-95f71980-11
0.612
ALP-POS-305f6ec3-1
0.612
ALP-POS-305f6ec3-35
0.611
JOE-NOR-4e4adc6b-1
0.606
ALP-POS-305f6ec3-51
0.605
ALP-POS-305f6ec3-32
0.605
ALP-POS-95f71980-19
0.603
ALP-POS-305f6ec3-20
0.602
PET-UNK-7d68125a-1
0.600
ALP-POS-305f6ec3-42
0.600
ALP-POS-305f6ec3-53
0.600
ALP-POS-305f6ec3-18
0.598
WIL-UNI-354943b6-10
0.598
ALP-POS-305f6ec3-30
0.597
ALP-POS-95f71980-36
0.596
ALP-POS-305f6ec3-23
0.596
ALP-POS-305f6ec3-13
0.595
ALP-UNI-c3ef0aba-3
0.595
ALP-POS-305f6ec3-17
0.591
ALP-POS-305f6ec3-34
0.590
ALP-POS-ced8ea4d-9
0.589
ALP-POS-02c6a514-51
0.588
ALP-POS-305f6ec3-7
0.585
ALP-POS-305f6ec3-8
0.579
LON-WEI-babf2c61-9
0.578
ALP-POS-305f6ec3-5
0.576
ALP-POS-305f6ec3-45
0.576