Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2ccno2)c2cccnc2)cc1 |
MW: | 475.19 |
Fraction sp3: | 0.24 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 123.59 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-de614146-9
0.776
ALP-UNI-fe744232-10
0.753
ALP-UNI-fe744232-24
0.745
ALP-UNI-fe744232-16
0.745
ALP-UNI-fe744232-8
0.740
ALP-UNI-fe744232-5
0.737
ALP-UNI-fe744232-6
0.730
ALP-UNI-fe744232-27
0.730
ALP-UNI-fe744232-7
0.730
ALP-POS-ced8ea4d-12
0.725
ALP-UNI-fe744232-4
0.723
ALP-UNI-fe744232-29
0.723
ALP-UNI-fe744232-28
0.702
ALP-UNI-fe744232-21
0.702
ALP-UNI-fe744232-26
0.695
ALP-UNI-fe744232-23
0.682
ALP-UNI-fe744232-2
0.679
ALP-POS-ced8ea4d-51
0.630
ALP-POS-ced8ea4d-19
0.602
ALP-POS-ced8ea4d-67
0.596
WIL-UNI-de614146-12
0.578
WIL-UNI-de614146-6
0.577
ALP-UNI-fe744232-30
0.575
ALP-POS-88a7a97e-35
0.570
ALP-POS-88a7a97e-14
0.566
WIL-UNI-de614146-7
0.565
WIL-UNI-de614146-3
0.560
WIL-UNI-de614146-8
0.560
ALP-POS-ced8ea4d-27
0.560
WIL-UNI-de614146-16
0.559
ALP-POS-88a7a97e-31
0.558
WIL-UNI-de614146-5
0.555
WIL-UNI-de614146-14
0.555
ALP-POS-02c6a514-50
0.555
ALP-POS-88a7a97e-22
0.553
ALP-POS-88a7a97e-3
0.552
ALP-POS-42f3de95-2
0.550
WIL-UNI-de614146-4
0.550
ALP-POS-ced8ea4d-9
0.550
BRU-THA-92256091-17
0.549
ALP-POS-ced8ea4d-52
0.549
ALP-POS-ced8ea4d-5
0.549
ALP-POS-88a7a97e-16
0.548
ALP-POS-42f3de95-1
0.545
ALP-UNI-fe744232-18
0.545
WIL-UNI-de614146-2
0.545
ALP-UNI-fe744232-9
0.544
ALP-POS-ced8ea4d-28
0.541
ALP-UNI-fe744232-3
0.540
ALP-POS-ced8ea4d-62
0.539
ALP-POS-88a7a97e-33
0.538
ALP-POS-88a7a97e-46
0.538
ALP-POS-88a7a97e-19
0.537
ALP-POS-88a7a97e-17
0.537
ALP-UNI-fe744232-14
0.535
ALP-POS-ced8ea4d-11
0.535
WIL-UNI-de614146-13
0.534
ALP-POS-ced8ea4d-32
0.533
ALP-POS-88a7a97e-13
0.532
WIL-UNI-de614146-15
0.530
WIL-UNI-de614146-10
0.530
ALP-POS-95f71980-36
0.530
ALP-UNI-fe744232-1
0.530
ALP-POS-88a7a97e-48
0.527
ALP-POS-88a7a97e-11
0.527
ALP-UNI-fe744232-12
0.526
ALP-POS-88a7a97e-1
0.525
ALP-POS-88a7a97e-7
0.524
ALP-POS-88a7a97e-10
0.524
ALP-POS-88a7a97e-2
0.524
ALP-POS-88a7a97e-29
0.523
ALP-POS-88a7a97e-32
0.523
ALP-POS-88a7a97e-38
0.523
ALP-POS-ced8ea4d-39
0.522
ALP-UNI-fe744232-15
0.521
ALP-UNI-fe744232-22
0.521
WIL-UNI-de614146-1
0.521
ALP-POS-88a7a97e-5
0.519
WIL-UNI-de614146-11
0.517
ALP-POS-ced8ea4d-44
0.517
ALP-POS-95f71980-3
0.517
ALP-POS-ced8ea4d-16
0.517
ALP-UNI-fe744232-17
0.517
ALP-UNI-fe744232-19
0.517
ALP-POS-88a7a97e-18
0.515
ALP-POS-88a7a97e-47
0.513
ALP-UNI-fe744232-25
0.512
ALP-POS-88a7a97e-4
0.509
ALP-POS-ced8ea4d-49
0.509
ALP-UNI-fe744232-11
0.508
ALP-POS-95f71980-27
0.508
ALP-POS-95f71980-35
0.508
ALP-POS-ced8ea4d-17
0.504
ALP-POS-95f71980-10
0.500
ALP-POS-95f71980-33
0.500
ALP-POS-ced8ea4d-37
0.500
ALP-POS-88a7a97e-8
0.500
ALP-POS-95f71980-34
0.496
ALP-POS-95f71980-28
0.496
ALP-UNI-fe744232-13
0.496