Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2ccc(O)cn2)c2cccnc2)cc1 |
MW: | 501.2 |
Fraction sp3: | 0.22 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 130.68 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-fe744232-5
0.800
ALP-UNI-fe744232-24
0.789
WIL-UNI-de614146-14
0.771
ALP-UNI-fe744232-10
0.760
ALP-UNI-fe744232-16
0.753
ALP-UNI-fe744232-8
0.747
ALP-UNI-fe744232-29
0.747
ALP-UNI-fe744232-6
0.737
ALP-UNI-fe744232-7
0.737
ALP-UNI-fe744232-4
0.730
ALP-UNI-fe744232-20
0.730
ALP-POS-ced8ea4d-12
0.716
ALP-UNI-fe744232-28
0.709
ALP-UNI-fe744232-21
0.709
ALP-UNI-fe744232-26
0.702
ALP-UNI-fe744232-23
0.689
ALP-UNI-fe744232-2
0.670
WIL-UNI-de614146-12
0.629
WIL-UNI-de614146-3
0.625
ALP-POS-ced8ea4d-51
0.620
WIL-UNI-de614146-6
0.596
WIL-UNI-de614146-16
0.593
ALP-POS-ced8ea4d-19
0.593
ALP-POS-ced8ea4d-67
0.587
WIL-UNI-de614146-7
0.585
ALP-POS-42f3de95-2
0.585
WIL-UNI-de614146-8
0.579
ALP-POS-88a7a97e-35
0.576
WIL-UNI-de614146-5
0.574
WIL-UNI-de614146-9
0.573
WIL-UNI-de614146-4
0.569
ALP-UNI-fe744232-30
0.566
ALP-POS-ced8ea4d-27
0.565
ALP-POS-42f3de95-1
0.565
WIL-UNI-de614146-2
0.564
ALP-POS-88a7a97e-31
0.563
ALP-POS-88a7a97e-22
0.559
ALP-POS-88a7a97e-3
0.558
ALP-POS-88a7a97e-14
0.556
BRU-THA-92256091-17
0.554
ALP-POS-ced8ea4d-52
0.554
ALP-POS-88a7a97e-16
0.553
WIL-UNI-de614146-13
0.553
ALP-POS-88a7a97e-13
0.551
WIL-UNI-de614146-15
0.549
WIL-UNI-de614146-10
0.549
ALP-POS-ced8ea4d-28
0.546
ALP-POS-02c6a514-50
0.545
ALP-POS-88a7a97e-33
0.544
ALP-POS-88a7a97e-46
0.543
ALP-POS-88a7a97e-38
0.543
ALP-POS-88a7a97e-19
0.542
ALP-POS-88a7a97e-17
0.542
ALP-POS-ced8ea4d-9
0.541
ALP-POS-ced8ea4d-5
0.540
ALP-UNI-fe744232-18
0.536
WIL-UNI-de614146-11
0.534
ALP-POS-88a7a97e-48
0.532
ALP-POS-88a7a97e-11
0.532
ALP-UNI-fe744232-3
0.531
ALP-POS-ced8ea4d-62
0.530
ALP-POS-88a7a97e-1
0.530
ALP-POS-88a7a97e-7
0.529
ALP-POS-88a7a97e-10
0.529
ALP-POS-88a7a97e-2
0.529
ALP-POS-88a7a97e-29
0.528
ALP-POS-88a7a97e-32
0.528
ALP-UNI-fe744232-14
0.526
ALP-POS-ced8ea4d-11
0.526
ALP-UNI-fe744232-22
0.526
WIL-UNI-de614146-1
0.525
ALP-POS-ced8ea4d-32
0.525
ALP-POS-88a7a97e-5
0.523
ALP-UNI-fe744232-9
0.522
ALP-POS-95f71980-36
0.522
ALP-UNI-fe744232-1
0.521
ALP-POS-88a7a97e-18
0.520
ALP-POS-88a7a97e-47
0.518
ALP-UNI-fe744232-12
0.517
ALP-POS-88a7a97e-4
0.514
ALP-POS-ced8ea4d-39
0.513
ALP-UNI-fe744232-15
0.513
ALP-UNI-fe744232-11
0.513
ALP-POS-88a7a97e-42
0.509
ALP-POS-88a7a97e-44
0.509
ALP-UNI-fe744232-17
0.508
ALP-POS-ced8ea4d-44
0.508
ALP-POS-95f71980-3
0.508
ALP-POS-ced8ea4d-16
0.508
ALP-UNI-fe744232-19
0.508
ALP-POS-88a7a97e-8
0.505
ALP-POS-ced8ea4d-37
0.504
ALP-POS-95f71980-33
0.504
ALP-POS-95f71980-27
0.500
ALP-POS-88a7a97e-12
0.500
ALP-POS-ced8ea4d-49
0.500
ALP-POS-ced8ea4d-17
0.496
ALP-POS-88a7a97e-36
0.496
ALP-POS-88a7a97e-45
0.495
ALP-UNI-fe744232-25
0.492