Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2nccs2)c2cccnc2)cc1 |
MW: | 490.18 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.1 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-fe744232-4
0.765
WIL-UNI-de614146-5
0.753
WIL-UNI-de614146-7
0.750
WIL-UNI-de614146-3
0.742
WIL-UNI-de614146-8
0.742
WIL-UNI-de614146-16
0.737
WIL-UNI-de614146-14
0.735
WIL-UNI-de614146-12
0.727
WIL-UNI-de614146-4
0.727
WIL-UNI-de614146-9
0.713
WIL-UNI-de614146-6
0.706
BRU-THA-92256091-17
0.706
WIL-UNI-de614146-10
0.699
WIL-UNI-de614146-15
0.699
WIL-UNI-de614146-13
0.686
WIL-UNI-de614146-11
0.679
WIL-UNI-de614146-1
0.667
BRU-THA-92256091-16
0.611
BRU-THA-92256091-18
0.593
BRU-THA-92256091-19
0.583
ALP-UNI-fe744232-7
0.578
ALP-UNI-fe744232-29
0.573
ALP-UNI-fe744232-5
0.569
ALP-UNI-fe744232-10
0.565
ALP-UNI-fe744232-27
0.564
ALP-UNI-fe744232-24
0.560
ALP-UNI-fe744232-16
0.560
WIL-UNI-354943b6-14
0.558
BRU-THA-92256091-22
0.550
ALP-UNI-fe744232-6
0.550
ALP-UNI-fe744232-8
0.545
ALP-UNI-fe744232-20
0.545
ALP-POS-1245c3fa-1
0.541
BRU-THA-92256091-24
0.541
BRU-THA-92256091-14
0.540
ALP-POS-ced8ea4d-12
0.535
MAT-POS-f2460aef-3
0.532
BRU-THA-92256091-23
0.531
ALP-UNI-fe744232-28
0.530
ALP-UNI-fe744232-21
0.530
BRU-THA-92256091-93
0.529
BRU-THA-92256091-15
0.527
BRU-THA-92256091-20
0.526
ALP-UNI-fe744232-26
0.526
BRU-THA-92256091-8
0.523
WIL-UNI-354943b6-2
0.522
WIL-UNI-354943b6-10
0.522
BRU-THA-92256091-21
0.522
BRU-THA-92256091-80
0.517
ALP-UNI-fe744232-23
0.517
ALP-UNI-fe744232-2
0.517
WIL-UNI-354943b6-3
0.513
WIL-UNI-354943b6-7
0.513
WIL-UNI-354943b6-11
0.513
BRU-THA-92256091-84
0.512
ALP-POS-e980f4ea-12
0.509
WIL-UNI-354943b6-5
0.509
WIL-UNI-354943b6-1
0.508
BRU-THA-92256091-31
0.504
BRU-THA-92256091-30
0.504
BRU-THA-92256091-85
0.504
WIL-UNI-354943b6-8
0.504
WIL-UNI-354943b6-12
0.504
BRU-THA-92256091-86
0.504
WIL-UNI-354943b6-9
0.500
WIL-UNI-354943b6-13
0.500
BRU-THA-92256091-42
0.496
BRU-THA-92256091-32
0.496
WIL-UNI-354943b6-4
0.488
BRU-THA-92256091-83
0.484
WIL-UNI-354943b6-6
0.480
BRU-THA-92256091-51
0.475
ALP-POS-1245c3fa-2
0.474
BRU-THA-92256091-91
0.472
BRU-THA-92256091-52
0.472
BRU-THA-92256091-66
0.468
ALP-POS-84f19ead-3
0.466
BRU-THA-40a53a3c-1
0.464
BRU-THA-92256091-65
0.463
ALP-POS-42f3de95-2
0.461
BRU-THA-92256091-60
0.460
BRU-THA-92256091-62
0.459
ALP-POS-ced8ea4d-51
0.458
BRU-THA-92256091-75
0.458
BRU-THA-92256091-61
0.455
BRU-THA-92256091-59
0.455
BRU-THA-92256091-78
0.453
BRU-THA-92256091-44
0.452
BRU-THA-92256091-92
0.452
BRU-THA-92256091-64
0.452
BRU-THA-92256091-12
0.447
BRU-THA-92256091-54
0.444
BRU-THA-92256091-67
0.444
BRU-THA-92256091-79
0.444
ALP-POS-ced8ea4d-67
0.442
BRU-THA-92256091-68
0.441
BRU-THA-92256091-55
0.441
BRU-THA-92256091-63
0.441
ALP-POS-88a7a97e-32
0.434
ALP-POS-ced8ea4d-19
0.433