Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2c(c1)COCC2 |
MW: | 500.19 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.56 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-ced8ea4d-47
0.864
BRU-THA-92256091-54
0.802
ALP-POS-e980f4ea-53
0.734
ALP-POS-ced8ea4d-27
0.712
ALP-POS-ced8ea4d-59
0.709
ALP-POS-ced8ea4d-1
0.704
ALP-UNI-fe744232-3
0.701
ALP-POS-ced8ea4d-62
0.697
ALP-POS-ced8ea4d-28
0.692
ALP-POS-ced8ea4d-19
0.692
ALP-POS-ced8ea4d-25
0.690
ALP-POS-02c6a514-50
0.689
BRU-THA-92256091-55
0.684
ALP-POS-ced8ea4d-9
0.682
ALP-POS-95f71980-37
0.682
ALP-POS-ced8ea4d-30
0.681
ALP-POS-ced8ea4d-11
0.679
ALP-UNI-fe744232-14
0.679
ALP-UNI-fe744232-18
0.676
ALP-UNI-fe744232-22
0.676
ALP-POS-ced8ea4d-21
0.675
ALP-POS-ced8ea4d-10
0.673
ALP-POS-ced8ea4d-37
0.670
ALP-POS-ced8ea4d-67
0.670
ALP-POS-ced8ea4d-44
0.670
ALP-POS-ced8ea4d-49
0.664
ALP-POS-ced8ea4d-52
0.664
ALP-POS-ced8ea4d-5
0.664
ALP-POS-ced8ea4d-39
0.664
ALP-POS-ced8ea4d-36
0.661
ALP-POS-95f71980-10
0.661
ALP-POS-ced8ea4d-18
0.658
ALP-UNI-fe744232-11
0.658
ALP-POS-ced8ea4d-12
0.658
ALP-UNI-fe744232-9
0.658
ALP-POS-ced8ea4d-51
0.658
ALP-POS-ced8ea4d-63
0.658
ALP-POS-95f71980-36
0.658
ALP-POS-ced8ea4d-50
0.655
ALP-POS-95f71980-28
0.655
ALP-UNI-fe744232-1
0.655
ALP-POS-95f71980-3
0.655
ALP-POS-ced8ea4d-20
0.652
ALP-POS-ced8ea4d-24
0.652
ALP-POS-ced8ea4d-38
0.652
ALP-UNI-fe744232-12
0.652
ALP-POS-ced8ea4d-65
0.650
ALP-POS-ced8ea4d-15
0.650
ALP-POS-ced8ea4d-8
0.647
ALP-UNI-fe744232-25
0.647
ALP-POS-95f71980-33
0.647
ALP-UNI-fe744232-15
0.646
ALP-UNI-fe744232-30
0.646
ALP-POS-95f71980-34
0.641
ALP-POS-ced8ea4d-16
0.640
ALP-UNI-fe744232-17
0.640
ALP-POS-ced8ea4d-32
0.639
ALP-POS-95f71980-15
0.639
ALP-POS-95f71980-32
0.639
ALP-POS-ced8ea4d-17
0.638
ALP-POS-95f71980-26
0.638
ALP-POS-95f71980-38
0.633
ALP-POS-95f71980-14
0.631
ALP-POS-95f71980-9
0.627
ALP-POS-95f71980-35
0.627
ALP-UNI-fe744232-13
0.627
ALP-POS-95f71980-27
0.627
ALP-UNI-fe744232-19
0.624
ALP-POS-e980f4ea-47
0.624
ALP-POS-95f71980-40
0.621
ALP-POS-95f71980-20
0.614
ALP-POS-95f71980-1
0.614
ALP-POS-95f71980-16
0.605
ALP-POS-95f71980-13
0.605
ALP-POS-95f71980-5
0.595
ALP-POS-95f71980-31
0.595
ALP-POS-95f71980-39
0.595
ALP-POS-95f71980-12
0.590
ALP-POS-95f71980-41
0.585
ALP-POS-ced8ea4d-7
0.582
ALP-POS-ced8ea4d-54
0.579
ALP-POS-ced8ea4d-34
0.575
ALP-POS-ced8ea4d-66
0.573
ALP-POS-ced8ea4d-35
0.570
ALP-POS-95f71980-8
0.570
ALP-POS-ced8ea4d-13
0.569
ALP-POS-ced8ea4d-22
0.569
ALP-POS-ced8ea4d-64
0.566
ALP-POS-d0876c20-5
0.566
ALP-POS-95f71980-30
0.565
ALP-POS-ced8ea4d-14
0.563
BRU-THA-92256091-78
0.560
ALP-POS-d0876c20-17
0.558
BRU-THA-92256091-79
0.554
ALP-POS-ced8ea4d-56
0.554
ALP-POS-ced8ea4d-43
0.549
ALP-POS-ced8ea4d-45
0.545
BRU-THA-92256091-76
0.543
ALP-POS-d0876c20-21
0.543
ALP-POS-ced8ea4d-41
0.542