Molecular Properties | |
SMILES: | O=C(NCCO)c1ccc(N(C(=O)c2c[nH]cn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 530.21 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 11 |
TPSA: | 140.31 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
WIL-UNI-354943b6-11
0.888
WIL-UNI-354943b6-8
0.885
WIL-UNI-354943b6-3
0.865
ALP-UNI-fe744232-17
0.777
MAT-POS-f2460aef-3
0.768
ALP-POS-1245c3fa-1
0.765
BRU-THA-92256091-24
0.765
BRU-THA-92256091-22
0.758
WIL-UNI-354943b6-10
0.752
BRU-THA-92256091-8
0.745
BRU-THA-92256091-15
0.743
BRU-THA-92256091-19
0.743
BRU-THA-92256091-16
0.738
WIL-UNI-354943b6-2
0.735
BRU-THA-92256091-18
0.735
WIL-UNI-354943b6-5
0.731
BRU-THA-92256091-23
0.728
WIL-UNI-354943b6-12
0.724
BRU-THA-92256091-80
0.724
WIL-UNI-354943b6-14
0.724
BRU-THA-92256091-17
0.721
BRU-THA-92256091-14
0.721
BRU-THA-92256091-20
0.721
WIL-UNI-354943b6-7
0.721
BRU-THA-92256091-21
0.714
BRU-THA-92256091-30
0.712
BRU-THA-92256091-85
0.708
WIL-UNI-354943b6-6
0.700
WIL-UNI-354943b6-4
0.697
BRU-THA-92256091-31
0.695
WIL-UNI-354943b6-1
0.694
ALP-UNI-fe744232-19
0.691
BRU-THA-92256091-86
0.688
BRU-THA-92256091-91
0.688
BRU-THA-92256091-32
0.686
ALP-UNI-fe744232-15
0.685
WIL-UNI-354943b6-13
0.682
ALP-POS-1245c3fa-2
0.676
BRU-THA-92256091-83
0.676
BRU-THA-92256091-93
0.670
ALP-UNI-fe744232-9
0.667
BRU-THA-92256091-42
0.664
BRU-THA-92256091-59
0.658
BRU-THA-92256091-75
0.651
BRU-THA-92256091-62
0.649
BRU-THA-92256091-84
0.647
BRU-THA-92256091-61
0.643
BRU-THA-92256091-51
0.637
BRU-THA-92256091-65
0.637
BRU-THA-92256091-64
0.637
BRU-THA-92256091-68
0.635
BRU-THA-92256091-52
0.632
BRU-THA-92256091-60
0.632
BRU-THA-92256091-79
0.628
BRU-THA-92256091-54
0.626
BRU-THA-92256091-66
0.626
BRU-THA-92256091-67
0.626
BRU-THA-92256091-44
0.621
BRU-THA-92256091-63
0.621
BRU-THA-92256091-55
0.621
BRU-THA-92256091-78
0.619
BRU-THA-92256091-92
0.607
BRU-THA-92256091-77
0.607
PET-UNK-48ab5cd7-1
0.606
ALP-POS-305f6ec3-33
0.604
BRU-THA-92256091-76
0.600
BRU-THA-92256091-11
0.600
BRU-THA-92256091-7
0.598
BRU-THA-92256091-12
0.591
ALP-POS-02c6a514-50
0.591
ALP-POS-305f6ec3-14
0.591
LON-WEI-2e27a2e5-2
0.585
ALP-POS-305f6ec3-46
0.582
ALP-POS-ced8ea4d-27
0.582
PET-UNK-48ab5cd7-3
0.582
ALP-POS-305f6ec3-38
0.580
ALP-UNI-fe744232-18
0.580
ALP-POS-02c6a514-11
0.579
WIL-UNI-de614146-15
0.579
ALP-POS-95f71980-17
0.578
ALP-POS-305f6ec3-48
0.577
BRU-THA-92256091-6
0.577
MAT-POS-f2460aef-5
0.577
BRU-THA-92256091-88
0.576
ALP-POS-305f6ec3-57
0.575
ALP-POS-b0bc6a46-23
0.574
ALP-POS-02c6a514-38
0.574
ALP-POS-95f71980-4
0.573
WIL-UNI-de614146-7
0.573
ALP-POS-95f71980-23
0.571
ALP-POS-ced8ea4d-9
0.571
ALP-POS-305f6ec3-50
0.570
BRU-THA-92256091-33
0.569
ALP-UNI-fe744232-22
0.569
ALP-POS-02c6a514-26
0.569
WIL-UNI-de614146-1
0.568
PET-UNK-48ab5cd7-2
0.568
ALP-POS-95f71980-27
0.567
ALP-POS-ced8ea4d-19
0.566
BRU-THA-92256091-13
0.566