Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ncc(-c2ccccc2)cn1 |
MW: | 522.18 |
Fraction sp3: | 0.1 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 114.11 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-ced8ea4d-28
0.760
ALP-POS-95f71980-40
0.708
ALP-POS-95f71980-5
0.695
ALP-POS-ced8ea4d-27
0.693
ALP-POS-02c6a514-50
0.686
ALP-POS-ced8ea4d-9
0.680
ALP-UNI-fe744232-14
0.676
ALP-POS-ced8ea4d-5
0.676
ALP-POS-ced8ea4d-19
0.673
ALP-UNI-fe744232-18
0.673
ALP-POS-95f71980-9
0.670
ALP-UNI-fe744232-3
0.667
ALP-POS-ced8ea4d-64
0.667
ALP-POS-ced8ea4d-67
0.667
ALP-POS-ced8ea4d-52
0.660
ALP-POS-ced8ea4d-11
0.660
ALP-UNI-fe744232-30
0.657
ALP-POS-95f71980-14
0.657
ALP-UNI-fe744232-9
0.654
ALP-POS-95f71980-20
0.654
ALP-POS-95f71980-36
0.654
ALP-POS-ced8ea4d-12
0.654
ALP-POS-ced8ea4d-51
0.654
ALP-POS-95f71980-3
0.651
ALP-POS-ced8ea4d-37
0.651
ALP-POS-95f71980-26
0.649
ALP-POS-ced8ea4d-35
0.649
ALP-UNI-fe744232-12
0.648
ALP-POS-ced8ea4d-62
0.648
ALP-POS-95f71980-16
0.645
ALP-POS-ced8ea4d-49
0.645
ALP-POS-ced8ea4d-39
0.645
ALP-UNI-fe744232-15
0.642
ALP-UNI-fe744232-22
0.642
ALP-POS-95f71980-1
0.639
ALP-POS-ced8ea4d-63
0.639
ALP-POS-ced8ea4d-7
0.637
ALP-UNI-fe744232-1
0.636
ALP-UNI-fe744232-17
0.636
ALP-POS-ced8ea4d-16
0.636
ALP-POS-95f71980-39
0.633
ALP-POS-95f71980-37
0.633
ALP-POS-95f71980-31
0.633
ALP-POS-ced8ea4d-54
0.632
ALP-POS-95f71980-12
0.627
ALP-UNI-fe744232-11
0.625
ALP-POS-95f71980-41
0.622
ALP-POS-ced8ea4d-44
0.622
ALP-UNI-fe744232-19
0.619
ALP-POS-ced8ea4d-17
0.619
ALP-POS-ced8ea4d-38
0.619
ALP-POS-ced8ea4d-59
0.616
ALP-POS-95f71980-10
0.614
ALP-UNI-fe744232-25
0.614
ALP-POS-95f71980-33
0.614
ALP-POS-ced8ea4d-10
0.611
ALP-POS-ced8ea4d-34
0.611
ALP-POS-95f71980-27
0.609
ALP-POS-95f71980-28
0.609
ALP-UNI-fe744232-13
0.609
ALP-POS-95f71980-34
0.609
ALP-POS-95f71980-35
0.609
ALP-POS-ced8ea4d-41
0.606
ALP-POS-95f71980-8
0.605
ALP-POS-ced8ea4d-20
0.605
ALP-POS-ced8ea4d-24
0.605
ALP-POS-ced8ea4d-53
0.605
ALP-POS-ced8ea4d-31
0.603
ALP-POS-95f71980-38
0.602
ALP-POS-ced8ea4d-8
0.600
ALP-POS-ced8ea4d-21
0.600
ALP-POS-ced8ea4d-36
0.600
ALP-POS-ced8ea4d-18
0.598
ALP-POS-ced8ea4d-47
0.595
ALP-POS-ced8ea4d-50
0.595
ALP-POS-95f71980-15
0.593
ALP-POS-95f71980-32
0.593
ALP-POS-ced8ea4d-32
0.593
ALP-POS-ced8ea4d-15
0.590
ALP-POS-ced8ea4d-65
0.590
BRU-THA-92256091-8
0.585
ALP-POS-95f71980-30
0.585
ALP-POS-ced8ea4d-40
0.579
ALP-POS-ced8ea4d-13
0.577
ALP-POS-ced8ea4d-22
0.577
ALP-POS-ced8ea4d-25
0.575
ALP-POS-ced8ea4d-1
0.575
ALP-POS-ced8ea4d-55
0.573
ALP-POS-ced8ea4d-58
0.570
ALP-POS-ced8ea4d-66
0.566
ALP-POS-ced8ea4d-45
0.565
ALP-POS-ced8ea4d-2
0.561
ALP-POS-ced8ea4d-29
0.560
ALP-POS-ced8ea4d-14
0.557
ALP-POS-ced8ea4d-30
0.556
ALP-POS-ced8ea4d-33
0.556
ALP-POS-ced8ea4d-43
0.556
ALP-POS-ced8ea4d-46
0.556
ALP-POS-d0876c20-14
0.555
ALP-POS-02c6a514-11
0.551