Molecular Properties | |
SMILES: | Cc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1OC(F)F |
MW: | 523.18 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
BRU-THA-92256091-42
0.750
ALP-POS-e980f4ea-51
0.743
ALP-POS-e980f4ea-39
0.743
ALP-POS-e980f4ea-27
0.717
ALP-POS-ced8ea4d-44
0.717
ALP-POS-e980f4ea-19
0.713
ALP-POS-e980f4ea-12
0.709
ALP-POS-e980f4ea-50
0.697
ALP-POS-e980f4ea-28
0.697
ALP-POS-e980f4ea-52
0.683
ALP-POS-e980f4ea-67
0.683
ALP-POS-e980f4ea-9
0.680
ALP-POS-e980f4ea-49
0.676
ALP-POS-e980f4ea-37
0.667
ALP-POS-e980f4ea-20
0.664
ALP-POS-e980f4ea-21
0.664
ALP-POS-e980f4ea-38
0.661
ALP-POS-e980f4ea-5
0.660
ALP-POS-e980f4ea-11
0.660
ALP-POS-e980f4ea-65
0.658
ALP-POS-e980f4ea-15
0.652
ALP-POS-e980f4ea-24
0.649
ALP-POS-e980f4ea-8
0.649
ALP-POS-e980f4ea-10
0.649
ALP-POS-e980f4ea-18
0.649
ALP-POS-e980f4ea-62
0.648
ALP-POS-e980f4ea-59
0.645
ALP-POS-e980f4ea-36
0.643
ALP-POS-e980f4ea-53
0.643
ALP-POS-e980f4ea-47
0.637
ALP-POS-e980f4ea-63
0.633
ALP-POS-e980f4ea-16
0.631
ALP-POS-e980f4ea-1
0.629
ALP-POS-e980f4ea-25
0.626
ALP-POS-e980f4ea-17
0.619
ALP-POS-e980f4ea-30
0.608
ALP-POS-e980f4ea-32
0.607
ALP-POS-e980f4ea-34
0.593
ALP-POS-e980f4ea-7
0.581
ALP-POS-e980f4ea-41
0.568
BRU-THA-92256091-30
0.566
ALP-POS-e980f4ea-64
0.565
BRU-THA-92256091-16
0.561
ALP-POS-e980f4ea-35
0.559
ALP-POS-e980f4ea-54
0.555
ALP-POS-e980f4ea-58
0.553
ALP-POS-e980f4ea-45
0.552
ALP-POS-305f6ec3-59
0.550
ALP-POS-ced8ea4d-39
0.548
ALP-POS-e980f4ea-46
0.547
ALP-POS-e980f4ea-13
0.545
ALP-POS-e980f4ea-22
0.545
PET-UNK-48ab5cd7-2
0.545
BRU-THA-92256091-22
0.545
ALP-POS-ced8ea4d-51
0.543
ALP-POS-e980f4ea-40
0.543
ALP-POS-e980f4ea-48
0.538
ALP-POS-02c6a514-52
0.536
BRU-THA-92256091-24
0.536
BRU-THA-92256091-19
0.535
BRU-THA-92256091-17
0.534
ALP-POS-305f6ec3-39
0.530
ALP-POS-305f6ec3-52
0.530
ALP-POS-02c6a514-37
0.527
ALP-POS-b0bc6a46-22
0.527
ALP-POS-02c6a514-46
0.526
MAT-POS-f2460aef-5
0.526
ALP-POS-02c6a514-25
0.526
ALP-POS-e980f4ea-66
0.526
ALP-POS-e980f4ea-2
0.526
ALP-POS-1245c3fa-1
0.522
ALP-POS-305f6ec3-20
0.521
ALP-POS-e980f4ea-6
0.521
BRU-THA-92256091-44
0.520
LON-WEI-2e27a2e5-2
0.518
BRU-THA-92256091-8
0.518
ALP-POS-305f6ec3-44
0.518
ALP-POS-ced8ea4d-27
0.518
ALP-POS-02c6a514-22
0.518
ALP-POS-ced8ea4d-19
0.517
BRU-THA-92256091-18
0.517
ALP-POS-ced8ea4d-12
0.517
ALP-POS-e980f4ea-14
0.517
ALP-POS-e980f4ea-61
0.517
ALP-POS-02c6a514-29
0.517
ALP-POS-b0bc6a46-18
0.517
ALF-EVA-719172df-6
0.514
ALP-POS-02c6a514-11
0.514
ALP-POS-95f71980-2
0.513
ALP-POS-305f6ec3-6
0.513
ALP-POS-305f6ec3-14
0.513
PET-UNK-48ab5cd7-1
0.513
ALP-POS-02c6a514-49
0.513
MAT-POS-f2460aef-3
0.513
ALP-POS-02c6a514-7
0.513
BRU-THA-92256091-31
0.513
ALP-POS-b0bc6a46-6
0.513
BRU-THA-92256091-23
0.513
ALP-POS-e980f4ea-29
0.513
ALP-POS-e980f4ea-55
0.512