Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2ccccn2)c2cccnc2)cc1 |
MW: | 485.21 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 110.45 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-fe744232-27
0.800
ALP-UNI-fe744232-24
0.798
ALP-UNI-fe744232-16
0.779
ALP-UNI-fe744232-10
0.768
WIL-UNI-de614146-3
0.768
ALP-UNI-fe744232-7
0.763
ALP-UNI-fe744232-8
0.755
ALP-UNI-fe744232-6
0.745
ALP-UNI-fe744232-4
0.737
ALP-UNI-fe744232-20
0.737
ALP-UNI-fe744232-29
0.737
ALP-POS-ced8ea4d-12
0.723
ALP-UNI-fe744232-21
0.716
ALP-UNI-fe744232-28
0.716
ALP-UNI-fe744232-26
0.709
ALP-UNI-fe744232-23
0.695
ALP-UNI-fe744232-2
0.692
WIL-UNI-de614146-12
0.635
ALP-POS-ced8ea4d-51
0.626
WIL-UNI-de614146-14
0.625
ALP-POS-42f3de95-2
0.606
WIL-UNI-de614146-6
0.602
WIL-UNI-de614146-8
0.600
ALP-POS-ced8ea4d-19
0.598
ALP-POS-ced8ea4d-67
0.593
WIL-UNI-de614146-7
0.590
ALP-UNI-fe744232-30
0.586
ALP-POS-42f3de95-1
0.585
WIL-UNI-de614146-16
0.583
ALP-POS-88a7a97e-35
0.582
WIL-UNI-de614146-5
0.579
WIL-UNI-de614146-9
0.578
ALP-POS-88a7a97e-14
0.577
WIL-UNI-de614146-4
0.574
WIL-UNI-de614146-2
0.569
ALP-POS-88a7a97e-31
0.569
ALP-POS-ced8ea4d-28
0.566
ALP-POS-88a7a97e-22
0.564
ALP-POS-88a7a97e-3
0.563
ALP-POS-88a7a97e-16
0.559
BRU-THA-92256091-17
0.559
WIL-UNI-de614146-13
0.558
ALP-POS-ced8ea4d-27
0.556
WIL-UNI-de614146-10
0.554
WIL-UNI-de614146-15
0.554
ALP-POS-02c6a514-50
0.550
ALP-POS-88a7a97e-33
0.549
ALP-POS-88a7a97e-38
0.548
ALP-POS-88a7a97e-46
0.548
ALP-POS-88a7a97e-17
0.547
ALP-POS-88a7a97e-19
0.547
ALP-POS-ced8ea4d-9
0.545
ALP-POS-ced8ea4d-52
0.545
ALP-POS-ced8ea4d-5
0.545
WIL-UNI-de614146-1
0.543
ALP-POS-88a7a97e-13
0.542
ALP-UNI-fe744232-18
0.541
WIL-UNI-de614146-11
0.539
ALP-POS-88a7a97e-11
0.537
ALP-POS-88a7a97e-48
0.537
ALP-UNI-fe744232-3
0.536
ALP-POS-88a7a97e-1
0.535
ALP-UNI-fe744232-12
0.535
ALP-POS-ced8ea4d-62
0.535
ALP-POS-88a7a97e-7
0.535
ALP-POS-88a7a97e-2
0.534
ALP-POS-88a7a97e-10
0.534
ALP-POS-88a7a97e-29
0.533
ALP-POS-88a7a97e-32
0.533
ALP-POS-ced8ea4d-11
0.531
ALP-UNI-fe744232-14
0.531
ALP-POS-ced8ea4d-32
0.529
ALP-POS-88a7a97e-5
0.528
ALP-POS-95f71980-36
0.526
ALP-UNI-fe744232-9
0.526
ALP-UNI-fe744232-1
0.526
ALP-POS-88a7a97e-18
0.525
ALP-POS-88a7a97e-8
0.523
ALP-POS-88a7a97e-47
0.523
ALP-UNI-fe744232-25
0.521
ALP-POS-88a7a97e-4
0.519
ALP-POS-ced8ea4d-39
0.518
ALP-UNI-fe744232-15
0.517
ALP-UNI-fe744232-22
0.517
ALP-UNI-fe744232-11
0.517
ALP-POS-95f71980-27
0.517
ALP-POS-88a7a97e-42
0.514
ALP-POS-88a7a97e-44
0.513
ALP-POS-ced8ea4d-44
0.513
ALP-POS-95f71980-3
0.513
ALP-UNI-fe744232-17
0.513
ALP-POS-ced8ea4d-16
0.513
ALP-UNI-fe744232-19
0.513
ALP-POS-ced8ea4d-37
0.509
ALP-POS-88a7a97e-12
0.505
ALP-POS-88a7a97e-26
0.505
ALP-POS-ced8ea4d-49
0.504
ALP-POS-95f71980-28
0.504
ALP-POS-95f71980-34
0.504
ALP-POS-95f71980-35
0.504