Molecular Properties | |
SMILES: | COc1ccc(CCNC(=O)C(c2cccnc2)N(C(=O)c2cocn2)c2ccc(OC(C)C)cc2)cc1F |
MW: | 532.21 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 106.79 |
cLogP: | 4.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-1
0.792
ALP-POS-ced8ea4d-12
0.779
ALP-UNI-fe744232-6
0.750
ALP-UNI-fe744232-23
0.750
ALP-UNI-fe744232-16
0.748
ALP-UNI-fe744232-21
0.738
ALP-UNI-fe744232-10
0.738
ALP-UNI-fe744232-7
0.717
ALP-UNI-fe744232-8
0.710
ALP-UNI-fe744232-28
0.706
ALP-UNI-fe744232-26
0.700
ALP-UNI-fe744232-5
0.692
ALP-POS-ced8ea4d-19
0.685
ALP-UNI-fe744232-24
0.682
ALP-POS-ced8ea4d-51
0.682
ALP-UNI-fe744232-20
0.679
ALP-UNI-fe744232-27
0.670
ALP-UNI-fe744232-29
0.664
ALP-UNI-fe744232-4
0.664
ALP-POS-ced8ea4d-67
0.649
ALP-UNI-fe744232-30
0.640
ALP-POS-ced8ea4d-52
0.628
BRU-THA-92256091-17
0.614
ALP-POS-ced8ea4d-27
0.613
ALP-POS-02c6a514-50
0.607
ALP-POS-ced8ea4d-62
0.603
ALP-POS-ced8ea4d-9
0.602
ALP-POS-ced8ea4d-11
0.600
ALP-POS-ced8ea4d-5
0.600
ALP-UNI-fe744232-18
0.596
ALP-POS-ced8ea4d-28
0.595
WIL-UNI-de614146-11
0.593
ALP-UNI-fe744232-3
0.591
ALP-UNI-fe744232-12
0.590
WIL-UNI-de614146-4
0.588
ALP-UNI-fe744232-14
0.586
WIL-UNI-de614146-8
0.584
ALP-POS-ced8ea4d-50
0.582
ALP-POS-95f71980-36
0.581
WIL-UNI-de614146-10
0.581
ALP-UNI-fe744232-9
0.581
ALP-POS-ced8ea4d-32
0.581
ALP-POS-ced8ea4d-16
0.580
ALP-UNI-fe744232-1
0.580
ALP-POS-ced8ea4d-44
0.580
WIL-UNI-de614146-7
0.575
WIL-UNI-de614146-6
0.573
ALP-POS-ced8ea4d-39
0.573
ALP-UNI-fe744232-15
0.571
ALP-UNI-fe744232-22
0.571
ALP-POS-95f71980-28
0.569
ALP-POS-95f71980-34
0.569
ALP-POS-95f71980-27
0.569
ALP-POS-95f71980-3
0.567
ALP-UNI-fe744232-17
0.567
ALP-UNI-fe744232-19
0.566
WIL-UNI-de614146-5
0.565
ALP-POS-ced8ea4d-49
0.559
WIL-UNI-de614146-13
0.558
ALP-UNI-fe744232-11
0.557
WIL-UNI-de614146-15
0.555
ALP-POS-ced8ea4d-17
0.553
ALP-POS-ced8ea4d-37
0.551
ALP-POS-95f71980-10
0.548
ALP-POS-95f71980-33
0.548
ALP-UNI-fe744232-25
0.548
WIL-UNI-de614146-12
0.547
ALP-POS-95f71980-35
0.544
ALP-UNI-fe744232-13
0.544
WIL-UNI-de614146-3
0.543
ALP-POS-e980f4ea-12
0.542
WIL-UNI-de614146-9
0.538
BRU-THA-92256091-19
0.534
BRU-THA-92256091-16
0.533
ALP-POS-95f71980-15
0.531
WIL-UNI-de614146-16
0.529
ALP-POS-ced8ea4d-63
0.529
ALP-POS-ced8ea4d-24
0.528
ALP-POS-ced8ea4d-20
0.528
ALP-POS-ced8ea4d-53
0.528
ALP-POS-95f71980-38
0.527
ALP-POS-88a7a97e-31
0.527
ALP-POS-95f71980-9
0.525
WIL-UNI-de614146-14
0.525
ALP-POS-95f71980-37
0.525
ALP-POS-ced8ea4d-59
0.524
ALP-POS-ced8ea4d-8
0.524
ALP-POS-88a7a97e-35
0.523
ALP-POS-88a7a97e-33
0.523
ALP-POS-88a7a97e-3
0.522
ALP-POS-95f71980-13
0.521
ALP-POS-ced8ea4d-10
0.520
ALP-POS-ced8ea4d-47
0.520
WIL-UNI-de614146-2
0.517
ALP-POS-ced8ea4d-38
0.516
ALP-POS-ced8ea4d-15
0.516
ALP-POS-ced8ea4d-65
0.516
ALP-POS-88a7a97e-8
0.513
ALP-POS-ced8ea4d-36
0.512
ALP-POS-ced8ea4d-21
0.512