Molecular Properties | |
SMILES: | CC(C)(C)c1nccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)n1 |
MW: | 502.21 |
Fraction sp3: | 0.26 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.11 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-95f71980-16
0.731
ALP-POS-95f71980-12
0.726
ALP-POS-95f71980-20
0.724
ALP-POS-95f71980-9
0.709
ALP-POS-95f71980-31
0.701
ALP-POS-95f71980-39
0.701
ALP-POS-02c6a514-50
0.692
ALP-POS-95f71980-1
0.692
ALP-POS-95f71980-5
0.685
ALP-POS-95f71980-14
0.679
ALP-UNI-fe744232-18
0.664
ALP-POS-ced8ea4d-28
0.663
ALP-POS-ced8ea4d-35
0.655
ALP-POS-ced8ea4d-27
0.651
ALP-POS-ced8ea4d-19
0.648
ALP-POS-95f71980-36
0.645
ALP-POS-ced8ea4d-37
0.642
ALP-POS-95f71980-37
0.640
ALP-POS-ced8ea4d-9
0.639
ALP-POS-ced8ea4d-63
0.631
ALP-POS-ced8ea4d-16
0.628
ALP-POS-ced8ea4d-67
0.627
ALP-UNI-fe744232-3
0.627
ALP-POS-95f71980-8
0.626
ALP-POS-ced8ea4d-49
0.622
ALP-POS-ced8ea4d-52
0.622
ALP-POS-ced8ea4d-5
0.622
ALP-POS-ced8ea4d-11
0.622
ALP-POS-ced8ea4d-39
0.622
ALP-UNI-fe744232-14
0.622
ALP-POS-95f71980-13
0.622
ALP-POS-ced8ea4d-21
0.621
ALP-POS-ced8ea4d-51
0.616
ALP-POS-ced8ea4d-12
0.616
ALP-UNI-fe744232-9
0.616
ALP-POS-95f71980-3
0.614
ALP-UNI-fe744232-17
0.614
ALP-POS-ced8ea4d-20
0.612
ALP-POS-ced8ea4d-62
0.611
ALP-UNI-fe744232-12
0.611
ALP-POS-ced8ea4d-8
0.607
ALP-UNI-fe744232-15
0.605
ALP-UNI-fe744232-22
0.605
ALP-UNI-fe744232-30
0.605
ALP-POS-ced8ea4d-34
0.603
ALP-POS-ced8ea4d-44
0.600
ALP-UNI-fe744232-1
0.600
ALP-POS-ced8ea4d-24
0.598
ALP-POS-ced8ea4d-17
0.598
ALP-POS-ced8ea4d-38
0.598
ALP-POS-ced8ea4d-7
0.598
ALP-POS-ced8ea4d-59
0.595
ALP-POS-95f71980-40
0.595
ALP-POS-ced8ea4d-36
0.593
ALP-POS-95f71980-10
0.593
ALP-POS-ced8ea4d-18
0.592
ALP-POS-ced8ea4d-10
0.590
ALP-UNI-fe744232-11
0.590
ALP-POS-ced8ea4d-47
0.588
ALP-POS-ced8ea4d-50
0.588
ALP-POS-95f71980-35
0.588
ALP-POS-ced8ea4d-53
0.585
ALP-UNI-fe744232-19
0.585
ALP-POS-95f71980-26
0.585
ALP-POS-ced8ea4d-65
0.583
ALP-POS-ced8ea4d-1
0.582
ALP-POS-ced8ea4d-64
0.582
ALP-UNI-fe744232-25
0.580
ALP-POS-95f71980-33
0.580
ALP-POS-95f71980-30
0.579
ALP-POS-95f71980-28
0.575
ALP-POS-95f71980-34
0.575
ALP-UNI-fe744232-13
0.575
ALP-POS-95f71980-27
0.575
ALP-POS-ced8ea4d-32
0.574
ALP-POS-95f71980-32
0.574
PET-UNK-48ab5cd7-4
0.571
ALP-POS-ced8ea4d-15
0.570
ALP-POS-95f71980-38
0.569
ALP-POS-ced8ea4d-54
0.566
ALP-POS-95f71980-15
0.561
ALP-POS-ced8ea4d-66
0.560
PAU-WEI-5b8d5051-1
0.560
LON-WEI-adc59df6-47
0.560
LON-POS-586a7c45-1
0.560
ALP-POS-d0876c20-17
0.559
ALP-POS-ced8ea4d-41
0.557
ALP-POS-ced8ea4d-13
0.557
ALP-POS-ced8ea4d-22
0.557
ALP-POS-ced8ea4d-25
0.556
ALP-POS-d0876c20-5
0.554
ALP-POS-95f71980-4
0.554
ALP-POS-305f6ec3-46
0.549
MAT-POS-f2460aef-3
0.544
ALP-POS-ced8ea4d-2
0.542
ALP-POS-02c6a514-12
0.540
ALP-POS-305f6ec3-49
0.540
ALP-POS-ced8ea4d-30
0.539
ALP-POS-ced8ea4d-58
0.538
ALP-POS-ced8ea4d-14
0.538