Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2c(OCCOC3CCS(=O)(=O)CC3)cc(Cl)cc21 |
MW: | 530.13 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 103.82 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
DAR-DIA-0587064e-17
0.762
MAT-POS-5369c344-4
0.743
DAR-DIA-0587064e-12
0.743
LAU-MED-88a3970a-2
0.735
LAU-MED-88a3970a-1
0.735
LAU-MED-88a3970a-3
0.721
LAU-MED-88a3970a-4
0.721
DAR-DIA-0587064e-10
0.701
MAT-POS-5369c344-2
0.701
NAU-LAT-0543f7f2-10
0.688
MAT-POS-5369c344-1
0.686
DAR-DIA-0587064e-15
0.686
DAR-DIA-0587064e-20
0.682
KAD-UNI-877d7bed-2
0.675
MAT-POS-5369c344-5
0.673
KAD-UNI-877d7bed-18
0.673
KAD-UNI-877d7bed-16
0.670
KAD-UNI-877d7bed-10
0.658
DAR-DIA-0587064e-22
0.658
MAT-POS-5369c344-3
0.655
DAR-DIA-0587064e-19
0.655
KAD-UNI-877d7bed-12
0.652
EDJ-MED-e4b030d8-4
0.645
EDJ-MED-e4b030d8-7
0.644
DAR-DIA-6a508060-4
0.644
MAT-POS-43fe65f4-1
0.644
RAL-THA-05e671eb-19
0.644
MAT-POS-5369c344-7
0.643
MAT-POS-5369c344-6
0.632
KAD-UNI-877d7bed-1
0.626
DAR-DIA-0587064e-24
0.621
KAD-UNI-877d7bed-15
0.615
KAD-UNI-877d7bed-13
0.613
KAD-UNI-877d7bed-8
0.610
KAD-UNI-877d7bed-17
0.608
KAD-UNI-877d7bed-20
0.608
KAD-UNI-877d7bed-19
0.605
KAD-UNI-877d7bed-5
0.603
KAD-UNI-877d7bed-9
0.597
KAD-UNI-877d7bed-11
0.595
KAD-UNI-877d7bed-14
0.595
VLA-UCB-05e51b3f-11
0.593
VLA-UCB-50c39ae8-8
0.593
LAU-MED-88a3970a-13
0.589
LAU-MED-88a3970a-14
0.589
DAR-DIA-23e5a6a0-5
0.586
KAD-UNI-877d7bed-4
0.586
LAU-MED-88a3970a-8
0.586
LAU-MED-88a3970a-7
0.586
LAU-MED-88a3970a-5
0.582
LAU-MED-88a3970a-6
0.582
DAR-DIA-23e5a6a0-4
0.580
DAR-DIA-23e5a6a0-2
0.576
ALP-UNI-3735e77e-2
0.575
RAL-THA-05e671eb-16
0.575
LAU-MED-88a3970a-11
0.575
LAU-MED-88a3970a-12
0.575
DAR-DIA-23e5a6a0-3
0.573
DAR-DIA-23e5a6a0-1
0.571
KAD-UNI-877d7bed-7
0.570
ALP-POS-ce760d3f-1
0.570
DAR-DIA-23e5a6a0-10
0.569
EDJ-MED-e4b030d8-5
0.569
LAU-MED-88a3970a-9
0.566
LAU-MED-88a3970a-15
0.566
LAU-MED-88a3970a-16
0.566
LAU-MED-88a3970a-17
0.566
LAU-MED-88a3970a-18
0.566
LAU-MED-88a3970a-10
0.566
DAR-DIA-6a508060-5
0.565
RAL-THA-05e671eb-17
0.565
RAL-THA-05e671eb-18
0.565
DAR-DIA-23e5a6a0-7
0.555
DAR-DIA-23e5a6a0-9
0.554
ALP-POS-fe871b40-1
0.550
RAL-THA-05e671eb-20
0.550
DAR-DIA-23e5a6a0-8
0.546
DAR-DIA-23e5a6a0-6
0.545
MIC-UNK-08fa0751-1
0.539
EDJ-MED-12f7f543-1
0.537
RAL-THA-05e671eb-25
0.537
PET-UNK-c0891748-8
0.537
ALP-POS-fe871b40-5
0.537
PET-UNK-c0891748-2
0.537
KAD-UNI-877d7bed-3
0.536
RAL-THA-05e671eb-21
0.514
RAL-THA-05e671eb-23
0.509
ALP-POS-c86619f0-1
0.505
DAR-DIA-0587064e-16
0.504
DAR-DIA-0587064e-26
0.504
DAR-DIA-0587064e-13
0.500
MAT-POS-b3e365b9-2
0.495
MAT-POS-b3e365b9-1
0.495
VLA-UCB-1dbca3b4-15
0.495
MAT-POS-f7918075-1
0.495
ALP-POS-869ac754-2
0.495
VLA-UNK-9a7dc93f-4
0.487
RYA-UNI-6d7114fd-1
0.486
RAL-THA-05e671eb-2
0.486
ALP-POS-869ac754-1
0.486