Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(OCCOc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)cc1 |
MW: | 553.11 |
Fraction sp3: | 0.19 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 129.84 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
DAR-DIA-0587064e-17
0.770
KAD-UNI-877d7bed-13
0.752
DAR-DIA-0587064e-12
0.750
MAT-POS-5369c344-4
0.750
LAU-MED-88a3970a-1
0.743
LAU-MED-88a3970a-2
0.743
LAU-MED-88a3970a-3
0.728
LAU-MED-88a3970a-4
0.728
DAR-DIA-0587064e-15
0.709
MAT-POS-5369c344-1
0.709
MAT-POS-5369c344-2
0.708
DAR-DIA-0587064e-10
0.708
NAU-LAT-0543f7f2-10
0.694
KAD-UNI-877d7bed-18
0.694
DAR-DIA-0587064e-20
0.688
KAD-UNI-877d7bed-19
0.681
KAD-UNI-877d7bed-10
0.679
KAD-UNI-877d7bed-16
0.676
KAD-UNI-877d7bed-6
0.675
KAD-UNI-877d7bed-12
0.673
MAT-POS-5369c344-6
0.667
MAT-POS-5369c344-5
0.664
MAT-POS-5369c344-3
0.661
DAR-DIA-0587064e-19
0.661
EDJ-MED-e4b030d8-7
0.650
MAT-POS-43fe65f4-1
0.650
DAR-DIA-6a508060-4
0.650
RAL-THA-05e671eb-19
0.650
DAR-DIA-0587064e-22
0.649
MAT-POS-5369c344-7
0.649
KAD-UNI-877d7bed-1
0.646
DAR-DIA-0587064e-24
0.626
KAD-UNI-877d7bed-5
0.622
KAD-UNI-877d7bed-15
0.621
EDJ-MED-e4b030d8-4
0.620
KAD-UNI-877d7bed-8
0.615
LAU-MED-88a3970a-16
0.615
LAU-MED-88a3970a-15
0.615
KAD-UNI-877d7bed-20
0.613
KAD-UNI-877d7bed-11
0.600
KAD-UNI-877d7bed-17
0.600
KAD-UNI-877d7bed-14
0.600
VLA-UCB-50c39ae8-8
0.598
VLA-UCB-05e51b3f-11
0.598
KAD-UNI-877d7bed-4
0.591
ALP-POS-ce760d3f-1
0.590
DAR-DIA-23e5a6a0-1
0.590
LAU-MED-88a3970a-9
0.586
LAU-MED-88a3970a-10
0.586
RAL-THA-05e671eb-16
0.581
ALP-UNI-3735e77e-2
0.581
LAU-MED-88a3970a-13
0.580
LAU-MED-88a3970a-14
0.580
DAR-DIA-23e5a6a0-3
0.578
DAR-DIA-23e5a6a0-5
0.578
LAU-MED-88a3970a-8
0.577
LAU-MED-88a3970a-7
0.577
KAD-UNI-877d7bed-9
0.576
KAD-UNI-877d7bed-7
0.575
EDJ-MED-e4b030d8-5
0.574
LAU-MED-88a3970a-5
0.573
LAU-MED-88a3970a-6
0.573
RAL-THA-05e671eb-18
0.570
RAL-THA-05e671eb-17
0.570
DAR-DIA-23e5a6a0-2
0.568
LAU-MED-88a3970a-11
0.566
LAU-MED-88a3970a-12
0.566
DAR-DIA-23e5a6a0-4
0.558
LAU-MED-88a3970a-17
0.558
MIC-UNK-08fa0751-1
0.558
LAU-MED-88a3970a-18
0.558
DAR-DIA-6a508060-5
0.557
RAL-THA-05e671eb-20
0.555
ALP-POS-fe871b40-1
0.555
DAR-DIA-23e5a6a0-6
0.550
DAR-DIA-23e5a6a0-10
0.547
DAR-DIA-23e5a6a0-8
0.538
DAR-DIA-23e5a6a0-7
0.533
PET-UNK-c0891748-2
0.528
RAL-THA-05e671eb-23
0.528
EDJ-MED-12f7f543-1
0.528
RAL-THA-05e671eb-25
0.528
ALP-POS-fe871b40-5
0.528
PET-UNK-c0891748-8
0.528
DAR-DIA-0587064e-16
0.521
DAR-DIA-23e5a6a0-9
0.520
RAL-THA-05e671eb-21
0.519
DAR-DIA-0587064e-13
0.517
ALP-POS-869ac754-2
0.514
ALP-POS-c86619f0-1
0.509
KAD-UNI-877d7bed-3
0.507
DAR-DIA-0587064e-14
0.504
MAT-POS-b3e365b9-1
0.500
MAT-POS-b3e365b9-2
0.500
FRA-DIA-b66f7109-3
0.500
MAT-POS-f7918075-1
0.500
VLA-UCB-1dbca3b4-15
0.500
DAR-DIA-0587064e-11
0.488
RAL-THA-05e671eb-3
0.486
DAR-DIA-0587064e-26
0.484