Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCOC1 |
MW: | 438.17 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.56 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-ced8ea4d-14
0.875
BRU-THA-92256091-1
0.780
ALP-POS-ced8ea4d-13
0.778
ALP-POS-ced8ea4d-22
0.778
ALP-POS-ced8ea4d-43
0.760
ALP-POS-ced8ea4d-2
0.755
ALP-POS-ced8ea4d-56
0.750
ALP-POS-ced8ea4d-45
0.740
ALP-POS-ced8ea4d-42
0.729
ALP-POS-e980f4ea-66
0.725
ALP-POS-ced8ea4d-6
0.720
ALP-POS-ced8ea4d-60
0.716
ALP-POS-ced8ea4d-61
0.713
ALP-POS-ced8ea4d-57
0.706
ALP-POS-ced8ea4d-31
0.700
ALP-POS-ced8ea4d-55
0.697
BRU-THA-92256091-10
0.689
ALP-POS-ced8ea4d-4
0.688
ALP-POS-ced8ea4d-26
0.675
ALP-POS-ced8ea4d-33
0.664
ALP-POS-ced8ea4d-29
0.655
ALP-POS-ced8ea4d-7
0.647
ALP-POS-ced8ea4d-23
0.646
ALP-POS-ced8ea4d-3
0.646
ALP-POS-e980f4ea-14
0.633
ALP-POS-ced8ea4d-64
0.629
ALP-POS-ced8ea4d-32
0.615
ALP-POS-ced8ea4d-41
0.615
ALP-POS-ced8ea4d-62
0.613
ALP-POS-ced8ea4d-28
0.604
ALP-POS-ced8ea4d-63
0.604
ALP-POS-ced8ea4d-37
0.600
BRU-THA-92256091-39
0.598
ALP-POS-ced8ea4d-59
0.596
BRU-THA-92256091-29
0.596
ALP-POS-ced8ea4d-54
0.596
ALP-POS-ced8ea4d-27
0.593
BRU-THA-92256091-2
0.591
BRU-THA-92256091-9
0.591
BRU-THA-92256091-13
0.591
ALP-POS-95f71980-14
0.591
ALP-POS-02c6a514-50
0.587
ALP-POS-95f71980-9
0.587
BRU-THA-92256091-49
0.583
BRU-THA-92256091-50
0.583
ALP-POS-ced8ea4d-9
0.582
ALP-POS-ced8ea4d-49
0.580
ALP-POS-ced8ea4d-11
0.580
ALP-POS-ced8ea4d-39
0.580
BRU-THA-92256091-33
0.579
ALP-UNI-fe744232-22
0.579
ALP-POS-ced8ea4d-46
0.578
ALP-POS-ced8ea4d-19
0.577
ALP-UNI-fe744232-18
0.577
ALP-UNI-fe744232-13
0.576
BRU-THA-92256091-38
0.575
ALP-POS-95f71980-1
0.575
ALP-POS-ced8ea4d-40
0.574
ALP-POS-ced8ea4d-17
0.573
ALP-POS-ced8ea4d-53
0.573
ALP-POS-ced8ea4d-67
0.571
ALP-UNI-fe744232-3
0.571
BRU-THA-92256091-5
0.570
BRU-THA-92256091-25
0.570
BRU-THA-92256091-69
0.570
BRU-THA-92256091-3
0.570
ALP-UNI-fe744232-12
0.570
ALP-POS-95f71980-39
0.570
BRU-THA-92256091-74
0.569
BRU-THA-92256091-72
0.569
BRU-THA-92256091-70
0.568
ALP-POS-ced8ea4d-52
0.566
ALP-POS-ced8ea4d-5
0.566
ALP-POS-95f71980-13
0.566
ALP-POS-95f71980-16
0.566
ALP-UNI-fe744232-14
0.566
ALP-POS-e980f4ea-43
0.565
BRU-THA-92256091-34
0.565
ALP-POS-ced8ea4d-58
0.565
BRU-THA-92256091-40
0.564
ALP-UNI-fe744232-11
0.564
ALP-POS-e980f4ea-13
0.564
ALP-POS-e980f4ea-22
0.564
ALP-POS-ced8ea4d-47
0.563
ALP-POS-95f71980-34
0.563
BRU-THA-92256091-56
0.562
ALP-POS-ced8ea4d-12
0.561
ALP-POS-ced8ea4d-51
0.561
ALP-POS-95f71980-20
0.561
ALP-POS-95f71980-36
0.561
ALP-UNI-fe744232-9
0.561
ALP-POS-95f71980-41
0.560
BRU-THA-92256091-71
0.560
ALP-POS-95f71980-3
0.560
BRU-THA-92256091-47
0.558
ALP-POS-95f71980-5
0.557
ALP-POS-95f71980-31
0.557
ALP-POS-95f71980-37
0.557
BRU-THA-92256091-36
0.556
ALP-POS-95f71980-40
0.556