Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2onc3c2CCCC3)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 554.27 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 6.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-305f6ec3-44
0.698
ALP-POS-95f71980-4
0.657
LON-WEI-2e27a2e5-2
0.657
ALP-POS-95f71980-21
0.654
ALP-POS-305f6ec3-19
0.652
ALP-POS-02c6a514-11
0.651
LON-WEI-2e27a2e5-1
0.639
MAT-POS-f2460aef-2
0.639
MAT-POS-f2460aef-1
0.639
ALP-POS-02c6a514-26
0.639
ALP-POS-95f71980-18
0.637
ALP-POS-305f6ec3-7
0.632
ALP-POS-95f71980-25
0.631
MAT-POS-f2460aef-4
0.631
MAT-POS-f2460aef-5
0.631
ALP-POS-305f6ec3-49
0.627
ALP-POS-02c6a514-12
0.627
ALP-POS-95f71980-6
0.625
ALP-POS-305f6ec3-5
0.624
PET-UNK-48ab5cd7-3
0.622
ALP-POS-305f6ec3-40
0.619
ALP-POS-95f71980-17
0.618
ALP-POS-95f71980-2
0.618
ALP-POS-305f6ec3-35
0.617
ALP-POS-95f71980-24
0.616
PET-UNK-48ab5cd7-1
0.616
ALP-POS-02c6a514-49
0.616
ALP-POS-02c6a514-6
0.616
ALP-POS-02c6a514-25
0.616
ALP-POS-02c6a514-50
0.616
ALP-POS-02c6a514-52
0.613
ALP-POS-305f6ec3-59
0.613
ALP-POS-02c6a514-33
0.611
PET-UNK-7d68125a-4
0.609
ALP-POS-305f6ec3-54
0.609
ALP-POS-02c6a514-17
0.609
PET-UNK-48ab5cd7-2
0.607
ALP-POS-02c6a514-22
0.607
ALP-POS-305f6ec3-46
0.607
ALP-POS-305f6ec3-27
0.607
ALP-POS-305f6ec3-41
0.607
PAU-WEI-5b8d5051-2
0.606
LON-WEI-adc59df6-47
0.606
PAU-WEI-5b8d5051-1
0.606
LON-POS-586a7c45-1
0.606
ALP-POS-305f6ec3-38
0.605
ALP-POS-305f6ec3-1
0.605
ALP-POS-95f71980-22
0.602
MAT-POS-f2460aef-3
0.602
ALP-POS-95f71980-7
0.602
ALP-POS-305f6ec3-14
0.602
ALP-POS-02c6a514-46
0.602
ALP-POS-305f6ec3-6
0.602
ALP-POS-305f6ec3-48
0.602
ALP-POS-305f6ec3-55
0.602
JOE-NOR-4e4adc6b-1
0.598
ALP-POS-95f71980-29
0.596
ALP-POS-95f71980-23
0.596
ALP-POS-305f6ec3-56
0.596
ALP-POS-305f6ec3-2
0.596
ALP-POS-305f6ec3-20
0.595
ALP-POS-305f6ec3-50
0.595
ALP-POS-02c6a514-40
0.595
ALP-POS-02c6a514-51
0.595
ALP-POS-305f6ec3-42
0.593
PET-UNK-7d68125a-1
0.593
ALP-POS-305f6ec3-3
0.591
ALP-POS-305f6ec3-39
0.591
ALP-POS-305f6ec3-52
0.591
ALP-POS-305f6ec3-30
0.590
ALP-POS-305f6ec3-4
0.590
ALP-POS-305f6ec3-23
0.590
PET-UNK-7d68125a-3
0.589
PET-UNK-7d68125a-2
0.589
ALP-POS-305f6ec3-28
0.586
ALP-POS-305f6ec3-33
0.586
ALP-POS-305f6ec3-57
0.586
ALP-POS-305f6ec3-16
0.583
ALP-POS-305f6ec3-45
0.583
ALP-POS-305f6ec3-12
0.576
ALP-POS-305f6ec3-13
0.576
ALP-POS-02c6a514-45
0.575
ALP-UNI-c3ef0aba-3
0.574
ALP-POS-305f6ec3-32
0.573
ALP-POS-305f6ec3-17
0.571
ALP-POS-305f6ec3-51
0.571
ALP-POS-305f6ec3-9
0.568
ALP-POS-305f6ec3-25
0.567
ALP-POS-305f6ec3-29
0.567
ALP-POS-95f71980-11
0.566
ALP-POS-305f6ec3-18
0.566
ALP-POS-95f71980-19
0.559
ALP-POS-305f6ec3-10
0.557
ALP-POS-305f6ec3-36
0.553
ALP-UNI-fe744232-18
0.551
ALP-POS-305f6ec3-31
0.548
ALP-POS-305f6ec3-24
0.548
ALP-POS-305f6ec3-21
0.548
ALP-POS-305f6ec3-37
0.547
PET-UNK-48ab5cd7-6
0.546