Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2ccno2)c2cccnc2)cc1 |
MW: | 474.2 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 126.24 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-fe744232-20
0.776
WIL-UNI-de614146-7
0.742
WIL-UNI-de614146-12
0.737
WIL-UNI-de614146-3
0.735
WIL-UNI-de614146-8
0.735
WIL-UNI-de614146-6
0.733
WIL-UNI-de614146-16
0.730
WIL-UNI-de614146-14
0.727
WIL-UNI-de614146-5
0.727
WIL-UNI-de614146-4
0.720
BRU-THA-92256091-17
0.716
WIL-UNI-de614146-2
0.713
WIL-UNI-de614146-10
0.692
WIL-UNI-de614146-15
0.692
WIL-UNI-de614146-13
0.679
WIL-UNI-de614146-1
0.676
WIL-UNI-de614146-11
0.673
BRU-THA-92256091-16
0.620
BRU-THA-92256091-19
0.593
BRU-THA-92256091-18
0.587
ALP-UNI-fe744232-5
0.578
ALP-UNI-fe744232-10
0.574
ALP-UNI-fe744232-27
0.573
ALP-UNI-fe744232-7
0.573
ALP-UNI-fe744232-16
0.569
ALP-UNI-fe744232-24
0.569
ALP-UNI-fe744232-29
0.568
ALP-UNI-fe744232-8
0.568
WIL-UNI-354943b6-14
0.566
ALP-POS-1245c3fa-1
0.565
BRU-THA-92256091-22
0.560
ALP-UNI-fe744232-6
0.559
ALP-POS-ced8ea4d-12
0.558
ALP-UNI-fe744232-4
0.554
BRU-THA-92256091-24
0.550
MAT-POS-f2460aef-3
0.541
BRU-THA-92256091-23
0.540
ALP-UNI-fe744232-21
0.539
BRU-THA-92256091-80
0.539
ALP-UNI-fe744232-28
0.539
ALP-UNI-fe744232-2
0.538
BRU-THA-92256091-93
0.538
BRU-THA-92256091-15
0.536
BRU-THA-92256091-14
0.535
WIL-UNI-354943b6-3
0.535
ALP-UNI-fe744232-26
0.534
BRU-THA-92256091-84
0.533
BRU-THA-92256091-8
0.532
WIL-UNI-354943b6-10
0.531
WIL-UNI-354943b6-2
0.531
BRU-THA-92256091-21
0.530
WIL-UNI-354943b6-12
0.526
ALP-UNI-fe744232-23
0.525
BRU-THA-92256091-20
0.522
WIL-UNI-354943b6-7
0.522
ALP-POS-e980f4ea-12
0.518
WIL-UNI-354943b6-5
0.517
WIL-UNI-354943b6-1
0.517
BRU-THA-92256091-30
0.513
WIL-UNI-354943b6-8
0.513
BRU-THA-92256091-85
0.513
WIL-UNI-354943b6-9
0.508
WIL-UNI-354943b6-11
0.508
WIL-UNI-354943b6-4
0.508
WIL-UNI-354943b6-13
0.508
BRU-THA-92256091-42
0.504
BRU-THA-92256091-91
0.504
BRU-THA-92256091-31
0.500
BRU-THA-92256091-86
0.500
ALP-POS-1245c3fa-2
0.496
BRU-THA-92256091-83
0.492
BRU-THA-92256091-32
0.491
WIL-UNI-354943b6-6
0.488
ALP-POS-ced8ea4d-51
0.479
BRU-THA-92256091-65
0.472
ALP-POS-42f3de95-2
0.470
BRU-THA-92256091-62
0.467
BRU-THA-92256091-75
0.467
BRU-THA-92256091-66
0.464
BRU-THA-92256091-54
0.464
BRU-THA-92256091-67
0.464
BRU-THA-92256091-61
0.463
BRU-THA-92256091-59
0.463
BRU-THA-92256091-79
0.463
BRU-THA-92256091-68
0.460
BRU-THA-92256091-55
0.460
BRU-THA-92256091-44
0.460
BRU-THA-92256091-92
0.460
BRU-THA-40a53a3c-1
0.460
BRU-THA-92256091-64
0.460
BRU-THA-92256091-51
0.460
BRU-THA-92256091-60
0.456
BRU-THA-92256091-52
0.456
ALP-POS-ced8ea4d-19
0.454
ALP-POS-ced8ea4d-67
0.450
BRU-THA-92256091-63
0.449
ALP-POS-84f19ead-3
0.448
ALP-POS-e980f4ea-51
0.442
BRU-THA-92256091-78
0.438
ALP-UNI-fe744232-30
0.435