Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2nncs2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 517.19 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.08 |
cLogP: | 5.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-49
0.760
ALP-POS-305f6ec3-41
0.732
LON-WEI-2e27a2e5-2
0.723
ALP-POS-02c6a514-12
0.722
LON-WEI-2e27a2e5-1
0.719
MAT-POS-f2460aef-2
0.719
MAT-POS-f2460aef-1
0.719
ALP-POS-95f71980-23
0.717
ALP-POS-02c6a514-11
0.716
ALP-POS-305f6ec3-5
0.712
ALP-POS-95f71980-2
0.711
ALP-POS-95f71980-17
0.711
ALP-POS-305f6ec3-3
0.710
ALP-POS-305f6ec3-14
0.707
ALP-POS-95f71980-7
0.707
ALP-POS-95f71980-4
0.704
ALP-POS-95f71980-21
0.701
ALP-POS-02c6a514-26
0.701
ALP-POS-305f6ec3-2
0.700
ALP-POS-305f6ec3-17
0.699
LON-POS-586a7c45-1
0.698
LON-WEI-adc59df6-47
0.698
PAU-WEI-5b8d5051-1
0.698
PET-UNK-48ab5cd7-2
0.697
ALP-POS-02c6a514-22
0.697
ALP-POS-305f6ec3-27
0.697
ALP-POS-305f6ec3-46
0.697
ALP-POS-305f6ec3-48
0.690
MAT-POS-f2460aef-5
0.690
ALP-POS-95f71980-22
0.690
ALP-POS-95f71980-24
0.690
ALP-POS-305f6ec3-59
0.687
ALP-POS-02c6a514-52
0.687
ALP-POS-305f6ec3-49
0.687
PAU-WEI-5b8d5051-2
0.680
ALP-POS-305f6ec3-44
0.680
PET-UNK-48ab5cd7-3
0.680
ALP-POS-305f6ec3-38
0.676
ALP-POS-305f6ec3-40
0.676
ALP-POS-02c6a514-46
0.673
ALP-POS-02c6a514-50
0.673
ALP-POS-02c6a514-6
0.673
ALP-POS-305f6ec3-55
0.673
ALP-POS-02c6a514-25
0.673
PET-UNK-48ab5cd7-1
0.673
ALP-POS-95f71980-25
0.673
MAT-POS-f2460aef-3
0.673
MAT-POS-f2460aef-4
0.673
ALP-POS-305f6ec3-6
0.673
ALP-POS-305f6ec3-56
0.667
ALP-POS-02c6a514-33
0.667
PET-UNK-7d68125a-4
0.667
ALP-POS-95f71980-6
0.667
ALP-POS-305f6ec3-54
0.663
ALP-POS-305f6ec3-39
0.660
ALP-POS-305f6ec3-52
0.660
PET-UNK-7d68125a-2
0.660
PET-UNK-7d68125a-3
0.660
ALP-POS-305f6ec3-23
0.657
ALP-POS-305f6ec3-28
0.654
ALP-POS-305f6ec3-33
0.654
ALP-POS-305f6ec3-57
0.654
JOE-NOR-4e4adc6b-1
0.653
ALP-POS-305f6ec3-20
0.648
ALP-POS-305f6ec3-50
0.648
ALP-POS-305f6ec3-19
0.648
ALP-POS-02c6a514-40
0.648
ALP-POS-95f71980-18
0.648
PET-UNK-7d68125a-1
0.647
ALP-POS-305f6ec3-42
0.645
ALP-POS-305f6ec3-4
0.642
ALP-POS-305f6ec3-12
0.642
ALP-POS-305f6ec3-35
0.642
ALP-UNI-c3ef0aba-3
0.641
ALP-POS-305f6ec3-58
0.640
ALP-POS-02c6a514-45
0.639
ALP-POS-305f6ec3-51
0.636
ALP-POS-305f6ec3-10
0.633
ALP-POS-305f6ec3-16
0.633
ALP-POS-02c6a514-17
0.632
ALP-POS-305f6ec3-1
0.627
ALP-POS-305f6ec3-36
0.627
ALP-POS-305f6ec3-8
0.619
ALP-POS-305f6ec3-45
0.618
ALP-POS-305f6ec3-15
0.617
ALP-POS-02c6a514-51
0.617
ALP-POS-95f71980-11
0.613
ALP-POS-305f6ec3-7
0.613
ALP-POS-305f6ec3-18
0.613
LON-WEI-babf2c61-9
0.608
PET-UNK-48ab5cd7-6
0.607
ALP-POS-305f6ec3-21
0.605
ALP-POS-305f6ec3-32
0.605
ALP-POS-305f6ec3-24
0.605
ALP-POS-305f6ec3-9
0.600
ALP-POS-305f6ec3-53
0.600
ALP-POS-305f6ec3-29
0.598
ALP-UNI-fe744232-18
0.598
WIL-UNI-354943b6-10
0.598
ALP-POS-780445ae-6
0.598