Molecular Properties | |
SMILES: | COc1ccc(CCNC(=O)C(c2cccnc2)N(C(=O)c2c[nH]cn2)c2ccc(OC(C)C)cc2)cc1F |
MW: | 531.23 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 109.44 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-UNI-fe744232-2
0.792
BRU-THA-92256091-17
0.784
WIL-UNI-de614146-4
0.755
WIL-UNI-de614146-11
0.755
WIL-UNI-de614146-8
0.752
WIL-UNI-de614146-10
0.743
WIL-UNI-de614146-7
0.743
WIL-UNI-de614146-5
0.728
WIL-UNI-de614146-15
0.710
WIL-UNI-de614146-3
0.702
WIL-UNI-de614146-6
0.701
WIL-UNI-de614146-13
0.697
BRU-THA-92256091-19
0.689
BRU-THA-92256091-16
0.685
WIL-UNI-de614146-14
0.679
WIL-UNI-de614146-9
0.676
WIL-UNI-de614146-12
0.673
WIL-UNI-de614146-2
0.667
WIL-UNI-de614146-16
0.667
BRU-THA-92256091-18
0.651
WIL-UNI-354943b6-14
0.643
BRU-THA-92256091-23
0.631
BRU-THA-92256091-22
0.624
ALP-POS-1245c3fa-1
0.615
BRU-THA-92256091-24
0.615
ALP-POS-ced8ea4d-12
0.605
MAT-POS-f2460aef-3
0.604
BRU-THA-92256091-80
0.600
BRU-THA-92256091-15
0.598
BRU-THA-92256091-93
0.597
BRU-THA-92256091-14
0.596
BRU-THA-92256091-20
0.596
BRU-THA-92256091-8
0.596
WIL-UNI-354943b6-2
0.593
WIL-UNI-354943b6-10
0.593
BRU-THA-92256091-21
0.591
WIL-UNI-354943b6-5
0.591
ALP-UNI-fe744232-23
0.585
WIL-UNI-354943b6-3
0.583
WIL-UNI-354943b6-7
0.583
ALP-POS-e980f4ea-12
0.579
ALP-UNI-fe744232-6
0.579
BRU-THA-92256091-44
0.579
BRU-THA-92256091-84
0.577
WIL-UNI-354943b6-1
0.576
BRU-THA-92256091-42
0.576
ALP-UNI-fe744232-16
0.575
BRU-THA-92256091-30
0.574
WIL-UNI-354943b6-12
0.573
ALP-UNI-fe744232-21
0.573
BRU-THA-92256091-85
0.573
WIL-UNI-354943b6-8
0.573
BRU-THA-92256091-86
0.571
WIL-UNI-354943b6-9
0.568
WIL-UNI-354943b6-11
0.567
ALP-UNI-fe744232-10
0.566
ALP-UNI-fe744232-7
0.565
BRU-THA-92256091-31
0.560
WIL-UNI-354943b6-4
0.554
WIL-UNI-354943b6-13
0.554
BRU-THA-92256091-32
0.552
BRU-THA-92256091-83
0.549
BRU-THA-92256091-91
0.548
ALP-UNI-fe744232-8
0.547
ALP-UNI-fe744232-28
0.546
WIL-UNI-354943b6-6
0.545
ALP-UNI-fe744232-5
0.543
ALP-POS-1245c3fa-2
0.543
ALP-UNI-fe744232-26
0.542
BRU-THA-92256091-65
0.528
BRU-THA-92256091-51
0.528
ALP-UNI-fe744232-27
0.525
ALP-POS-ced8ea4d-19
0.525
ALP-POS-ced8ea4d-51
0.525
BRU-THA-92256091-75
0.525
BRU-THA-92256091-62
0.525
BRU-THA-92256091-60
0.524
ALP-UNI-fe744232-24
0.521
ALP-UNI-fe744232-29
0.521
ALP-UNI-fe744232-20
0.521
BRU-THA-92256091-59
0.520
BRU-THA-92256091-61
0.520
BRU-THA-92256091-79
0.520
BRU-THA-92256091-54
0.520
BRU-THA-92256091-66
0.520
BRU-THA-92256091-64
0.516
BRU-THA-92256091-55
0.516
BRU-THA-92256091-92
0.516
BRU-THA-92256091-52
0.512
ALP-UNI-fe744232-4
0.508
BRU-THA-92256091-67
0.508
BRU-THA-92256091-28
0.504
BRU-THA-92256091-63
0.504
BRU-THA-92256091-68
0.504
BRU-THA-92256091-76
0.500
BRU-THA-92256091-7
0.500
BRU-THA-92256091-11
0.500
BRU-THA-92256091-12
0.500
ALP-POS-e980f4ea-51
0.500
ALP-POS-e980f4ea-19
0.500